SCHEMBL947518

SCHEMBL947518

COC([C]=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LTA4H P09960 2/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7661580 0.87 LTA4H (0.39) CA4PPARGPPARAMTNR1AMTNR1B
SCHEMBL4516165 0.79 CA4 (0.41) CA4PPARGPPARAMTNR1AMTNR1B
SCHEMBL27482970 0.79 CA4 (0.41) CA4PPARGPPARAMTNR1AMTNR1B
SCHEMBL9240409 0.79 L3MBTL1 (0.41) PPARGPPARAMTNR1AMTNR1BLTA4H
SCHEMBL9238203 0.75 MTNR1A (0.37) PPARGPPARAMTNR1AMTNR1BLTA4H
SCHEMBL43675 0.74 MTNR1A (0.42) CA4MTNR1AMTNR1BLTA4HGAA
SCHEMBL9353539 0.74 MTNR1A (0.42) CA4MTNR1AMTNR1BLTA4HGAA
SCHEMBL8893040 0.71 CA4 (0.46) CA4PPARGPPARAMTNR1AMTNR1B
SCHEMBL446679 0.71 MTNR1A (0.40) CA4MTNR1AMTNR1BGAACYP1A2
SCHEMBL3906412 0.70 CA4 (0.50) CA4PPARGPPARAMTNR1AMTNR1B

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
EP-0787135-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-08-06 EP disclosed
WO-1996012727-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO disclosed
US-5114946-A An enantiomorphs and a vehicle for drug deliversy AMERICAN CYANAMID COMPANY (US) 1992-05-19 US disclosed
EP-0334593-A1 Chiral azetidinone epoxides THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-27 EP disclosed
EP-0334590-A2 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1989-09-27 EP disclosed
EP-0334592-A2 A process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins ELI LILLY AND COMPANY (US) 1989-09-27 EP disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 EP disclosed
EP-0321636-A2 Enhancers for the transdermal flux of certain 1,4-Dihydropyridine derivatives AMERICAN CYANAMID COMPANY (US) 1989-06-28 EP disclosed
EP-0317780-A1 Sustained (controlled) release delivery system for substituted dihydropyridine calcium channel blockers AMERICAN CYANAMID COMPANY (US) 1989-05-31 EP disclosed
EP-0299728-A2 Carbonylation process for beta-lactam antibiotics ELI LILLY AND COMPANY (US) 1989-01-18 EP disclosed
EP-0294601-A2 Transdermal delivery of pharmaceuticals AMERICAN CYANAMID COMPANY (US) 1988-12-14 EP 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 CA4 2299/4885PPARG 442/4885PPARA 994/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 CA4 2299/4885PPARG 442/4885PPARA 994/4885

“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.