SCHEMBL700674

SCHEMBL700674

CCOc1cccc2c1cc(C(=O)O)n2CC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.51
MCL1 Q07820 1/20 0.48
NTRK1 P04629 3/20 0.47
PKM P14618 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 2/20 0.46
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
DAO P14920 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
SCHEMBL700831 0.89 MCL1 (0.52) CCR2MCL1NTRK1PKMKDM4E
SCHEMBL700805 0.88 CCR2 (0.48) CCR2MCL1NTRK1PKMKDM4E
SCHEMBL699964 0.87 CCR2 (0.65) CCR2PKMKDM4EPOLBALDH1A1
SCHEMBL699903 0.86 F10 (0.48) PKMKDM4EPOLBALDH1A1MAPT
SCHEMBL699819 0.80 GPR35 (0.53) CCR2PKMKDM4EPOLBALDH1A1
SCHEMBL3858068 0.79 ALDH1A1 (0.41) CCR2MCL1NTRK1KDM4EALDH1A1
SCHEMBL12466600 0.78 CCR2 (0.61) CCR2PKMKDM4EPOLBALDH1A1
SCHEMBL702060 0.78 F10 (0.48) PKMKDM4EPOLBALDH1A1MAPT
SCHEMBL11618545 0.77 KDM4E (0.61) NTRK1PKMKDM4EPOLBALDH1A1
SCHEMBL31008782 0.75 CCR2 (0.51) CCR2KDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US 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
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
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CCR2 4191/4885MCL1 3229/4885NTRK1 4849/4885

“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.