SCHEMBL362053

SCHEMBL362053

c1ccc2c(c1)ccc1cc3ccsc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP1B1 Q16678 2/20 0.56
HIF1A Q16665 1/20 0.56
CYP1A2 P05177 3/20 0.47
HPGD P15428 2/20 0.47
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 3/20 0.43
NQO2 P16083 2/20 0.42
NQO1 P15559 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
CYP1A1 P04798 1/20 0.37
MAPT P10636 1/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL29808493 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL30585980 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL2930168 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL12277741 0.84 CYP2A6 (0.39) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL12278216 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
Phenanthrene SCHEMBL28161136 0.79 CYP2A6 (0.55) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL19219826 0.79 CYP2A6 (0.42) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL144203 0.79 CYP2A6 (0.42) ALDH1A1HSD17B10HIF1AHPGDCYP2A6
Phenanthrene SCHEMBL28589451 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL4585002 0.77 CYP2A6 (0.41) ALDH1A1HSD17B10HIF1AHPGDCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 US claimed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 EP claimed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 WO claimed
CN-105838298-B Electronic component fixation EVA hot-melt adhesive 上海政太纳米科技股份有限公司 2017-11-10 CN disclosed
CN-105778827-B Battery EVA hot-melt adhesive 上海政太纳米科技股份有限公司 2017-07-11 CN disclosed
CN-105838298-A EVA hot melt adhesive used for fixing electronic element 上海政太纳米科技股份有限公司 2016-08-10 CN disclosed
CN-105778827-A EVA hot melt adhesive for storage battery 上海政太纳米科技股份有限公司 2016-07-20 CN disclosed
US-8399447-B2 Metal triangulo compound and methods of using the same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-03-19 US disclosed
US-8329263-B2 Method of coating a particle AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-12-11 US disclosed
WO-2012008916-A1 FLAME RETARDANT AND INTUMESCENT COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-19 WO disclosed
WO-2010132029-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-18 WO disclosed
US-6603140-B2 Organic EL device TDK CORPORATION (JP) 2003-08-05 US disclosed
US-20020048688-A1 Organic electroluminescence device and organic light emitting medium IDEMITSU KOSAN CO., LTD. (JP) 2002-04-25 US disclosed
US-20020038867-A1 Organic EL device TDK CORPORATION (JP) 2002-04-04 US disclosed
EP-1191822-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. (JP) 2002-03-27 EP disclosed
US-6285039-B1 HIGH LUMINANCEL CONTINUOUS LIGHT EMISSION AND RELIABILITY; MULTI-COLOR EMISSION MAY BE POSSIBLE TDK CORPORATION (JP) 2001-09-04 US disclosed
EP-0857007-A1 ORGANIC ELECTROLUMINESCENT DEVICE TDK Corporation (JP) 1998-08-05 EP disclosed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4985423-A New 1,4-diazepine derivatives having anit-ulcer activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-01-15 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 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 (1 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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 ALDH1A1 1447/4885HSD17B10 3305/4885CYP1B1 1884/4885

“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.