SCHEMBL13561978

SCHEMBL13561978

COC(=O)c1ccc(C)c(N)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
POLB P06746 2/20 0.51
GAA P10253 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 3/20 0.46
MAPT P10636 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
CFTR P13569 2/20 0.46
ABL1 P00519 1/20 0.45
PTGER4 P35408 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 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
SCHEMBL559831 0.86 KDM4E (0.56) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL29424811 0.84 KDM4E (0.53) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL6022088 0.84 NNMT (0.46) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL5553956 0.84 KDM4E (0.53) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL1162098 0.84 ALDH1A1 (0.47) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL998094 0.81 PTGER4 (0.54) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL17877001 0.81 CA1 (0.43) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL30711137 0.81 PTGER4 (0.54) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL6852879 0.80 CA1 (0.52) KDM4EPOLBGAAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL18037660 0.80 PTGER4 (0.52) KDM4EPOLBGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060431-A1 SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-13 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 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 (1 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 KDM4E 3115/4885POLB 1468/4885GAA 306/4885

“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.