SCHEMBL93764

SCHEMBL93764

Nc1cc2c3ccccc3ccc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 1.00
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
CYP2A6 P11509 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HIF1A Q16665 2/20 0.52
CYP1B1 Q16678 2/20 0.52
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
KEAP1 Q14145 1/20 0.50
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PAX8 Q06710 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RAD52 P43351 1/20 0.46
MAPK1 P28482 2/20 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
SCHEMBL29804869 1.00 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL30076625 1.00 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL16107487 0.87 HPRT1 (0.77) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL6244226 0.85 HPRT1 (0.73) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL22142548 0.84 HPRT1 (0.73) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL6421361 0.84 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL177977 0.84 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL278672 0.84 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL29366857 0.84 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL30074479 0.84 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12631612-B2 Fluorescent dye molecules for tracer applications in subterranean formations SAUDI ARABIAN OIL COMPANY (SA) 2026-05-19 US claimed
US-20250084759-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2025-03-13 US claimed
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US claimed
US-20230183565-A1 MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US claimed
EP-2346876-B1 NOVEL 4BETA-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-01-30 EP claimed
US-8354547-B2 4β-amino podophyllotoxin congeners as anti tumour antibiotics a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-01-15 US claimed
US-20110213165-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-01 US claimed
EP-2346876-A1 NOVEL 4BETA-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2011-07-27 EP claimed
EP-2254600-A1 NOVEL COMPOSITIONS AND USES THEREOF Biosuspensions Limited (GB) 2010-12-01 EP claimed
WO-2010052733-A1 NOVEL 4β-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-14 WO claimed
US-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 2009-11-19 US claimed
WO-2009098469-A1 NOVEL COMPOSITIONS AND USES THEREOF BIOSUSPENSIONS LIMITED (GB) 2009-08-13 WO claimed
WO-2009098475-A1 STRUCTURED SURFACTANT SYSTEMS AND USES THEREOF BIOSUSPENSIONS LIMITED (GB) 2009-08-13 WO claimed
US-6767872-B2 FRICTION RESISTANCE; HEAT AND WEAR RESISTANCE THE CHARLES STARK DRAPER LABORATORY, INC. 2004-07-27 US claimed
US-20030087771-A1 Elastohydrodynamic and boundary lubricant and method of lubricating THE CHARLES STARK DRAPER LABORATORY INC. 2003-05-08 US claimed
WO-2002094969-A2 ELASTOHYDRODYNAMIC AND BOUNDARY LUBRICANT AND METHOD OF LUBRICATING THE CHARLES STARK DRAPER LABORATORY, INC. (US) 2002-11-28 WO claimed
US-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed
US-12631612-B2 Fluorescent dye molecules for tracer applications in subterranean formations SAUDI ARABIAN OIL COMPANY (SA) 2026-05-19 US disclosed
US-4729950-A AROMATIC AMINE, PEROXIDASE, OXIDIZER, 2,3-DIHYDRO-1,4-PHTHALAZINEDIONE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-03-08 US disclosed
US-4299915-A INCUBATION IN PRESENCE OF PURINE ANALOG MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-11-10 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-12631612-B2 Fluorescent dye molecules for tracer applications in subterranean formations CD99, TST, TDO2 HPRT1 4415/4885ALDH1A1 1112/4885HSD17B10 1134/4885
US-20090285797-A1 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM CYP2A6, CYP2B6, CYP2D6 HPRT1 117/4885ALDH1A1 120/4885HSD17B10 127/4885
US-20110213165-A1 NOVEL 4BETA-AMINO PODOPHYLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF EIF4B, TUBB4B, TUBB4A HPRT1 3077/4885ALDH1A1 1724/4885HSD17B10 1855/4885

“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.