SCHEMBL534974

SCHEMBL534974

[c]1cccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.58
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 2/20 0.50
TSHR P16473 1/20 0.50
PAX8 Q06710 1/20 0.43
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
PMP22 Q01453 1/20 0.40
CYP1A2 P05177 4/20 0.38
HPGD P15428 3/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL25108 0.96 ALDH1A1 (0.55) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27732677 0.94 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Hydroxyl Radical SCHEMBL28094644 0.94 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Methane SCHEMBL28133192 0.94 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28130707 0.91 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL12080528 0.89 HSD17B10 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL18221904 0.88 ALDH1A1 (0.61) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Triphenylene SCHEMBL28342090 0.87 HPRT1 (0.43) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2412656 0.87 HPRT1 (0.33) HPRT1
SCHEMBL14718717 0.85 ALDH1A1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101071-A1 COMPOSITION, LIGHT EMITTING ELEMENT CONTAINING SAME, AND COMPOUND 住友化学株式会社 2024-05-16 WO claimed
WO-2024080748-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-04-18 WO claimed
EP-3294727-B1 ORGANIC LIGHT-EMITTING DIODE COMPRISING DIFFERENT MATRIX COMPOUNDS IN THE FIRST AND SECOND ELECTRON TRANSPORT LAYER NOVALED GMBH (DE) 2021-08-04 EP claimed
EP-2858136-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO (JP) 2021-05-26 EP claimed
US-10873032-B2 Organic photoelectric conversion element, two-dimensional sensor, image sensor, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-12-22 US claimed
US-10418563-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-09-17 US claimed
EP-3211682-B1 AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO (JP) 2019-03-13 EP claimed
US-20190013469-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, TWO-DIMENSIONAL SENSOR, IMAGE SENSOR, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2019-01-10 US claimed
US-10038152-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-07-31 US claimed
US-9899613-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-02-20 US claimed
US-20150357586-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-10 US claimed
EP-2946421-A1 ORGANIC LIGHT-EMITTING ELEMENT Canon Kabushiki Kaisha (JP) 2015-11-25 EP claimed
EP-2939289-A1 ORGANIC LIGHT-EMITTING ELEMENT Canon Kabushiki Kaisha (JP) 2015-11-04 EP claimed
US-20150295188-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-10-15 US claimed
WO-2014112658-A1 ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-07-24 WO claimed
WO-2014104386-A1 ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2014-07-03 WO claimed
US-20120319091-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-12-20 US claimed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 US claimed
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 US claimed
US-5312707-A Compositions for images RICOH COMPANY, LTD. (JP) 1994-05-17 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20030092637-A1 Novel compounds ENTPD5, G6PD, G6PC1 HPRT1 139/4885ALDH1A1 986/4885HSD17B10 859/4885
US-10038152-B2 Organic light-emitting element NFE2L2, EML4, LEF1 HPRT1 236/4885ALDH1A1 715/4885HSD17B10 3906/4885
US-10873032-B2 Organic photoelectric conversion element, two-dimensional sensor, image sensor, and imaging apparatus POU2F1, PPOX, POU2F2 HPRT1 1248/4885ALDH1A1 1143/4885HSD17B10 1912/4885
US-10418563-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 HPRT1 563/4885ALDH1A1 468/4885HSD17B10 1992/4885
US-20120319091-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME INMT, TYR, ALKBH2 HPRT1 576/4885ALDH1A1 890/4885HSD17B10 3704/4885

“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.