SCHEMBL714897

SCHEMBL714897

[c]1ccc(-c2ccc(-c3ccccc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.52
HSD17B2 P37059 5/20 0.52
NQO2 P16083 3/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.42
APP P05067 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL498650 0.84 HSD17B1 (0.65) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL2242666 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL7591649 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL14190035 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL7587868 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL7587610 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL2240182 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL2241368 0.82 HSD17B1 (0.62) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL27176145 0.80 HSD17B1 (0.47) HSD17B1HSD17B2NQO2CYP2E1CYP3A4
SCHEMBL12562751 0.79 MEN1 (0.61) HSD17B1HSD17B2NQO2CYP2E1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-08-31 US disclosed
US-9620723-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-04-11 US disclosed
US-9382206-B2 Nitrogen-containing aromatic heterocyclic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-07-05 US disclosed
EP-2321862-B1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2014-11-19 EP disclosed
CN-102144313-B Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2014-07-30 CN disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
EP-2628729-A1 AROMATIC HETEROCYCLIC DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-08-21 EP disclosed
EP-2617712-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-07-24 EP disclosed
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-09 US disclosed
US-8343639-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-01 US disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 US disclosed
US-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US disclosed
CN-102144313-A Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2011-08-03 CN disclosed
EP-2321862-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME Semiconductor Energy Laboratory Co, Ltd. (JP) 2011-05-18 EP disclosed
WO-2010027004-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-11 WO disclosed
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A HSD17B1 1468/4885HSD17B2 1270/4885NQO2 1584/4885
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A HSD17B1 1468/4885HSD17B2 1270/4885NQO2 1584/4885
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A HSD17B1 1468/4885HSD17B2 1270/4885NQO2 1584/4885
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 HSD17B1 2132/4885HSD17B2 1780/4885NQO2 2505/4885
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A HSD17B1 1468/4885HSD17B2 1270/4885NQO2 1584/4885
US-20120181524-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME AOC3, NPR3, NR0B1 HSD17B1 2274/4885HSD17B2 2530/4885NQO2 135/4885
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR HSD17B1 1945/4885HSD17B2 1910/4885NQO2 1790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.