SCHEMBL525913

SCHEMBL525913

[c]1c2ccccc2cc2c1ccc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1B1 Q16678 2/20 0.54
HIF1A Q16665 1/20 0.54
CYP2A6 P11509 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPRT1 P00492 3/20 0.46
PAX8 Q06710 1/20 0.39
CYP1A2 P05177 4/20 0.37
HPGD P15428 2/20 0.37
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A1 P04798 1/20 0.35
MAPT P10636 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.34

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
SCHEMBL14718718 0.96 HPRT1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL27904402 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL18221905 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL25252116 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL28294913 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL2846828 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL24252 0.77 CYP2A6 (0.41) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL12474905 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL5028398 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL15937996 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 US claimed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 EP claimed
US-9066410-B2 Organic electronic device MERCK PATENT GMBH (DE) 2015-06-23 US claimed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 US claimed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP claimed
JP-2011528324-A 2011-11-17 JP claimed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US claimed
EP-2307520-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2011-04-13 EP claimed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 US claimed
EP-2260023-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2010-12-15 EP claimed
WO-2010094378-A1 ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2010-08-26 WO claimed
WO-2010006680-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-01-21 WO claimed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 WO claimed
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 US claimed
US-20240244957-A1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL Merck Patent KGaA (DE) 2024-07-18 US disclosed
WO-2024126635-A1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
EP-4340969-A1 METHOD FOR THE CONTINUOUS PURIFICATION OF AT LEAST ONE FUNCTIONAL MATERIAL AND DEVICE FOR THE CONTINUOUS PURIFICATION OF AT LEAST ONE FUNCTIONAL MATERIAL Merck Patent GmbH (DE) 2024-03-27 EP disclosed
US-4791233-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791232-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791231-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 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 (4 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 ALDH1A1 986/4885HSD17B10 859/4885CYP1B1 1327/4885
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 ALDH1A1 604/4885HSD17B10 2499/4885CYP1B1 570/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 ALDH1A1 604/4885HSD17B10 2499/4885CYP1B1 570/4885
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 ALDH1A1 2171/4885HSD17B10 3576/4885CYP1B1 2195/4885

“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.