SCHEMBL354141

SCHEMBL354141

CC(=O)CC(O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
IDO1 P14902 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3526103 0.82 MMP12 (0.47) CYP3A4CYP2C19KDM4EHSD17B10GRM8
SCHEMBL20364016 0.82 CYP3A4 (0.39) CYP3A4CYP2C19KDM4ECYP19A1TP53
SCHEMBL4449939 0.82 MMP12 (0.47) CYP3A4CYP2C19KDM4EHSD17B10GRM8
SCHEMBL7416398 0.81 GRM8 (0.38) CYP3A4CYP2C19KDM4EHSD17B10GRM8
SCHEMBL5355666 0.80 L3MBTL1 (0.46) CYP3A4CYP2C19KDM4EHSD17B10GRM8
SCHEMBL29700737 0.79 KDM4E (0.40) KDM4E
SCHEMBL5929596 0.79 KCNA5 (0.49) CYP3A4CYP2C19CYP19A1
SCHEMBL5160546 0.79 KCNA5 (0.49) CYP3A4CYP2C19CYP19A1
SCHEMBL6441268 0.79 LMNA (0.56) KDM4EL3MBTL1
SCHEMBL6991 0.79 LMNA (0.56) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 US disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed
WO-1993010778-A1 INHIBITION OF ANGIOGENESIS WITH PYRIDINYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-10 WO disclosed
EP-0539575-A1 INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES. MERRELL DOW PHARMA (US) 1993-05-05 EP disclosed
WO-1992020337-A2 INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1992-11-26 WO disclosed
EP-0222358-B1 CARDIOTONIC HETEROCYCLIC OXAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-17 EP disclosed
EP-0222358-A1 Cardiotonic heterocyclic oxazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1987-05-20 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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 CYP3A4 4754/4885CYP2C19 4800/4885KDM4E 4553/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 CYP3A4 4754/4885CYP2C19 4800/4885KDM4E 4553/4885

“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.