SCHEMBL997121

SCHEMBL997121

[S]c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TAAR1 Q96RJ0 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
ALOX5 P09917 1/20 0.48
CA1 P00915 2/20 0.43
MGLL Q99685 2/20 0.43
MAOA P21397 1/20 0.43
CA2 P00918 1/20 0.43
KIF11 P52732 1/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL149337 1.00 ALDH1A1 (0.60) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL8511695 0.86 ESR1 (0.39) ALDH1A1CYP3A4TDP1ALOX5MEN1
Biphenyl SCHEMBL27759503 0.82 ALDH1A1 (0.75) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL18674172 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL827097 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
Biphenyl SCHEMBL895675 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
Tannin Pyrogallol SCHEMBL21448 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL143471 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL2637802 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL1991754 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298737-B1 Indole compounds and organic light-emitting device including the same SAMSUNG DISPLAY CO LTD (KR) 2017-05-10 EP disclosed
EP-2085382-B1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO (JP) 2016-04-20 EP disclosed
US-9051328-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-09 US disclosed
US-8895159-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-25 US disclosed
US-8580393-B2 Polymer and organic electroluminescent device including the same IDEMITSU KOSAN CO., LTD. (JP) 2013-11-12 US disclosed
US-8524380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-09-03 US disclosed
US-20130187137-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-07-25 US disclosed
EP-2293650-B1 Dipyrrolo[a,h]pyrenes for organic light-emitting devices SAMSUNG DISPLAY CO LTD (KR) 2013-03-27 EP disclosed
US-8399880-B2 Heteroarylamine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-03-19 US disclosed
US-8394510-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-03-12 US disclosed
EP-2293650-A1 Dipyrrolo[a,h]pyrenes for organic light-emitting devices Samsung Mobile Display Co., Ltd. (KR) 2011-03-09 EP disclosed
EP-2292602-A1 Phenaleno[1,9-fg]indole based organic light-emitting devices Samsung Mobile Display Co., Ltd. (KR) 2011-03-09 EP disclosed
US-20110049488-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
US-20110049484-A1 HETEROARYLAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
US-20110049494-A1 HETEROARYLAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
US-20110017983-A1 POLYMER AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME IDEMITSU KOSAN CO., LTD. 2011-01-27 US disclosed
US-20100219400-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-09-02 US disclosed
EP-2085382-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-08-05 EP disclosed
US-20080124572-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-29 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 (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-20110049494-A1 HETEROARYLAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME INMT, TYR, HTT ALDH1A1 1062/4885TAAR1 256/4885HSD17B10 2336/4885
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC1, TRPC4, LAGE3 ALDH1A1 470/4885TAAR1 1955/4885HSD17B10 2216/4885
US-20110049484-A1 HETEROARYLAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME INMT, TYR, HTT ALDH1A1 1062/4885TAAR1 256/4885HSD17B10 2336/4885
US-20110049488-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC1, TRPC4, LAGE3 ALDH1A1 470/4885TAAR1 1955/4885HSD17B10 2216/4885
US-20080124572-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, DDC, AOC2 ALDH1A1 181/4885TAAR1 349/4885HSD17B10 3265/4885

“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.