SCHEMBL71634

SCHEMBL71634

CCOC(=O)c1cc(-c2ccc(O)cc2)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TNIK Q9UKE5 3/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALPL P05186 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL11887698 0.90 KMT2A (0.60) KMT2AL3MBTL1NPSR1POLBTP53
SCHEMBL5016810 0.87 NPSR1 (0.63) KMT2AL3MBTL1NPSR1POLBALPL
SCHEMBL30988463 0.87 KMT2A (0.57) KMT2AL3MBTL1NPSR1POLBTP53
SCHEMBL3501972 0.87 KMT2A (0.57) KMT2AL3MBTL1NPSR1POLBTP53
SCHEMBL69842 0.87 KMT2A (0.64) KMT2AL3MBTL1NPSR1POLBTP53
SCHEMBL5023368 0.84 KMT2A (0.57) KMT2AL3MBTL1NPSR1TNIKPOLB
SCHEMBL29114933 0.83 RAB9A (0.57) KMT2AL3MBTL1NPSR1CA9POLB
SCHEMBL93106 0.83 KMT2A (0.53) KMT2AL3MBTL1NPSR1ALPLMAPT
SCHEMBL2427777 0.83 KMT2A (0.53) KMT2AL3MBTL1NPSR1POLBTP53
SCHEMBL70249 0.81 GABRA1 (0.54) KMT2AL3MBTL1NPSR1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1352/4885L3MBTL1 4379/4885NPSR1 3026/4885

“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.