SCHEMBL701263

SCHEMBL701263

COc1cccc2c(C)c(C(=O)O)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
HPGD P15428 6/20 1.00
ALDH1A1 P00352 6/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MCL1 Q07820 3/20 1.00
GAA P10253 2/20 1.00
POLB P06746 2/20 1.00
MAPT P10636 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
TSHR P16473 1/20 1.00
HTT P42858 1/20 1.00
RECQL P46063 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
NQO2 P16083 1/20 0.53
CDK9 P50750 1/20 0.52
DYRK1A Q13627 1/20 0.52
GLA P06280 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL2454659 0.80 MCL1 (0.69) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL18942987 0.79 HPGD (0.64) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL29568691 0.79 HPGD (0.64) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL9452783 0.78 KDM4E (0.63) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL11741686 0.77 KDM4E (0.63) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL6185787 0.77 MCL1 (0.62) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL4090402 0.77 MCL1 (0.62) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL4076852 0.77 KDM4E (0.62) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL8054562 0.76 ALDH1A1 (0.61) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL18919782 0.75 MCL1 (0.65) KDM4EHPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118152-A None JP disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
JP-H07118152-A NERVE GROWTH FACTOR PRODUCTION PROMOTER SAGAMI CHEM RES CENTER 1995-05-09 JP 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT KDM4E 2709/4885HPGD 818/4885ALDH1A1 586/4885

“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.