SCHEMBL634466

SCHEMBL634466

C1=Cc2c3ccccc3cc3cccc(c23)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
CES1 P23141 1/20 0.37
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 5/20 0.34
HPGD P15428 4/20 0.34
HIF1A Q16665 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
GRK6 P43250 1/20 0.33
HTR2A P28223 1/20 0.32
CYP1B1 Q16678 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19374112 0.77 TDP1 (0.34) CYP1A2MAOAAHRALDH1A1HSD17B10
SCHEMBL19374115 0.77 GPR3 (0.35) CYP1A2MAOAALDH1A1HSD17B10HPGD
SCHEMBL31280686 0.76 ALDH1A1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4851809 0.71 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL26028 0.71 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29562021 0.71 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30024309 0.70 GRK6 (0.37) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
Triphenylene SCHEMBL22493025 0.69 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5702406 0.69 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL290497 0.69 ALDH1A1 (0.42) CYP1A2ERBB2FYNMAOAACHE

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US claimed
EP-0400038-A1 WATER-DISSIPATABLE POLYESTER AND POLYESTER-AMIDES CONTAINING COPOLYMERIZED COLORANTS EASTMAN CHEMICAL COMPANY (US) 1990-12-05 EP claimed
WO-1989007118-A1 WATER-DISSIPATABLE POLYESTER AND POLYESTER-AMIDES CONTAINING COPOLYMERIZED COLORANTS EASTMAN KODAK COMPANY (US) 1989-08-10 WO claimed
CN-110520459-A Process for preparing poly (trimethylene furandicarboxylate) using zinc catalyst DUPONT IND BIOSCIENCES USA LLC 2019-11-29 CN disclosed
CN-109689085-A COMPOSITIONS AND METHODS FOR TREATING PULMONARY HYPERTENSION 阿塞勒隆制药公司 2019-04-26 CN disclosed
WO-2015054333-A1 METHODS OF TREATING CANCER USING COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVE Neonc Technologies, Inc. (US) 2015-04-16 WO disclosed
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
EP-2155908-A1 GERMLINE POLYMORPHISMS IN THE ANGIOGENIC PATHWAY PREDICT TUMOR RECURRENCE IN CANCER THERAPY University Of Southern California (US) 2010-02-24 EP disclosed
EP-2109686-A2 GENETIC MARKERS FOR PREDICTING RESPONSIVENESS TO COMBINATION THERAPY University Of Southern California (US) 2009-10-21 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
WO-2008144512-A1 GERMLINE POLYMORPHISMS IN THE ANGIOGENIC PATHWAY PREDICT TUMOR RECURRENCE IN CANCER THERAPY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-11-27 WO disclosed
WO-2008088854-A2 GENETIC MARKERS FOR PREDICTING RESPONSIVENESS TO COMBINATION THERAPY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-07-24 WO disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 US disclosed
US-6526213-B1 Colorless white light transmission FIBERSTARS INCORPORATED 2003-02-25 US disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US disclosed
US-5104913-A Copolymer of thermoplastic polyester and colorant; controlled particle size EASTMAN KODAK COMPANY (US) 1992-04-14 US disclosed
US-5043376-A Blend of water insoluble polymeric colorant and surfactant EASTMAN KODAK COMPANY (US) 1991-08-27 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 (2 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI CYP1A2 1244/4885ERBB2 912/4885FYN 4245/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI CYP1A2 1358/4885ERBB2 792/4885FYN 4021/4885

“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.