SCHEMBL4137181

SCHEMBL4137181

CCOC(=O)CCc1cccc(-c2ccco2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.50
SYK P43405 5/20 0.48
PSMB5 P28074 2/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
KEAP1 Q14145 1/20 0.46
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
PTPN7 P35236 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4134355 0.90 PRMT6 (0.49) PRMT6SYKPSMB5KEAP1KDM4E
SCHEMBL4640294 0.81 KEAP1 (0.56) PRMT6KEAP1KDM4EHPGD
SCHEMBL8903063 0.81 TDP1 (0.56) SYKCYP4F2CYP4A11TDP1
SCHEMBL4425984 0.80 CYP4F2 (0.64) SYKCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL10242910 0.80 PRMT6 (0.53) PRMT6PSMB5KEAP1KDM4EPOLB
SCHEMBL12302785 0.79 PRMT6 (0.59) PRMT6PSMB5KEAP1KDM4EPOLB
SCHEMBL30540945 0.79 FFAR1 (0.55) SYKCYP4F2CYP4A11TDP1
SCHEMBL21476713 0.79 FFAR1 (0.64) SYKCYP4F2CYP4A11
SCHEMBL10243163 0.79 PRMT6 (0.59) PRMT6PSMB5KEAP1KDM4EPOLB
SCHEMBL14018792 0.78 SMN1; SMN2 (0.55) SYKCYP4F2CYP4A11KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use ASTEX THERAPEUTICS LTD. (GB) 2008-10-16 US disclosed
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use ASTEX THERAPEUTICS LTD. (GB) 2008-10-16 US disclosed
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use ASTEX THERAPEUTICS LTD. (GB) 2008-10-16 US disclosed
EP-1951681-A1 NOVEL 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2007058581-A1 NOVEL 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2007058581-A1 NOVEL 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 PRMT6 553/4885SYK 2396/4885PSMB5 187/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 PRMT6 1140/4885SYK 2804/4885PSMB5 520/4885
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use PSEN2, PSEN1, MAPT PRMT6 103/4885SYK 3893/4885PSMB5 2378/4885

“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.