SCHEMBL9968693

SCHEMBL9968693

Cc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.55
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
HSD17B1 P14061 5/20 0.52
HSD17B2 P37059 5/20 0.52
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ESRRG P62508 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SNCA P37840 1/20 0.42

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
SCHEMBL12575567 0.97 APP (0.52) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12307014 0.90 APP (0.46) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL6015219 0.90 RXFP1 (0.53) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL11522143 0.88 MEN1 (0.52) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14037011 0.88 RXFP1 (0.51) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14595486 0.88 HSD17B1 (0.63) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12973225 0.88 APP (0.77) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14179953 0.88 HSD17B1 (0.54) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL10016215 0.88 APP (0.45) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL28210460 0.88 ALDH1A1 (0.59) APPESR1ESR2HSD17B1HSD17B2

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020158795-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM USING SAME, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-08-06 WO disclosed
WO-2019181878-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-09-26 WO disclosed
WO-2019182072-A1 POLYUREA COPOLYMER, LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed
EP-2518111-B1 COMPOSITION AND LUMINESCENT ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2019-03-13 EP disclosed
CN-105585554-B A kind of method of copper catalysis water phase end alkene and sulphur powder reaction generation thiphene ring 四川大学 2019-03-05 CN disclosed
US-10003024-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 US disclosed
US-10003024-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-06-19 US disclosed
US-9985213-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2018-05-29 US disclosed
US-9985213-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2018-05-29 US disclosed
US-20170324039-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2017-11-09 US disclosed
EP-1992672-A1 Organic electroluminescent device TDK Corporation (JP) 2008-11-19 EP disclosed
US-7452958-B2 Living synthesis of conducting polymers including regioregular polymers, polythiophenes, and block copolymers CARNEGIE MELLON UNIVERSITY (US) 2008-11-18 US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 US disclosed
WO-2008011953-A1 POLYMER BLENDS AND THEIR USE IN ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2008-01-31 WO disclosed
WO-2008009343-A1 COPOLYMERS OF INDENOFLUORENE AND THIOPHENE MERCK PATENT GMBH (DE) 2008-01-24 WO disclosed
US-20070290198-A1 P-Alkoxyphenylen-Thiophene Oligomers as Organic Semiconductors for Use in Electronic Devices E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed
US-7183009-B2 Organic electroluminescent element FUJI XEROX CO., LTD. (JP) 2007-02-27 US disclosed
US-7183009-B2 Organic electroluminescent element FUJI XEROX CO., LTD. (JP) 2007-02-27 US disclosed
US-7166859-B2 Organic semiconductor transistor element, semiconductor device using the same, and process for producing the semiconductor device FUJI XEROX CO., LTD. (JP) 2007-01-23 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 (3 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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A APP 1988/4885ESR1 848/4885ESR2 1336/4885
US-20070290198-A1 P-Alkoxyphenylen-Thiophene Oligomers as Organic Semiconductors for Use in Electronic Devices CD2, TPMT, ICMT APP 15/4885ESR1 676/4885ESR2 1409/4885
US-20170324039-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS RER1, OR10J3, LEF1 APP 2395/4885ESR1 64/4885ESR2 14/4885

“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.