SCHEMBL3076148

SCHEMBL3076148

Cc1cccc(C=C2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 8/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
NAT1 P18440 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 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
SCHEMBL31462528 0.83 KMT2A (0.56) KMT2AALDH1A1CRHBPCRHR2PIM1
SCHEMBL2497792 0.81 KMT2A (0.59) KMT2AALDH1A1CRHBPCRHR2GAA
SCHEMBL17199432 0.80 ALDH1A1 (0.67) KMT2AALDH1A1CRHBPCRHR2PIM1
SCHEMBL1587773 0.80 ALDH1A1 (0.66) KMT2AALDH1A1CRHBPCRHR2MEN1
SCHEMBL9062718 0.78 METAP1 (0.65) KMT2AALDH1A1CRHBPCRHR2GAA
SCHEMBL20814036 0.76 KMT2A (0.56) KMT2AALDH1A1CRHBPCRHR2MEN1
SCHEMBL19551422 0.75 KMT2A (0.59) KMT2AALDH1A1CRHBPCRHR2MEN1
SCHEMBL30397389 0.74 LCK (0.56) KMT2AALDH1A1CRHBPCRHR2GAA
SCHEMBL3276894 0.74 LCK (0.56) KMT2AALDH1A1CRHBPCRHR2GAA
SCHEMBL29246579 0.73 ALDH1A1 (0.60) KMT2AALDH1A1GAAMEN1MAPT

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
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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 (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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 KMT2A 1359/4885ALDH1A1 3137/4885CRHBP 1573/4885
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 KMT2A 2019/4885ALDH1A1 2507/4885CRHBP 4732/4885

“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.