SCHEMBL700831

SCHEMBL700831

CCCOc1cccc2c1cc(C(=O)O)n2CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.52
CCR2 P41597 3/20 0.49
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
NTRK1 P04629 2/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
CDC7 O00311 1/20 0.40
EEF2K O00418 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MARK3 P27448 1/20 0.40
AXL P30530 1/20 0.40
AKT2 P31751 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
SCHEMBL700674 0.89 CCR2 (0.51) MCL1CCR2PKMKDM4EPOLB
SCHEMBL700805 0.86 CCR2 (0.48) MCL1CCR2PKMKDM4EPOLB
SCHEMBL699964 0.85 CCR2 (0.65) CCR2PKMKDM4EPOLBALDH1A1
SCHEMBL13802529 0.81 CCR2 (0.55) MCL1CCR2
SCHEMBL699819 0.77 GPR35 (0.53) CCR2PKMKDM4EPOLBALDH1A1
SCHEMBL6595874 0.77 CCR2 (0.61) MCL1CCR2GPR35
SCHEMBL699903 0.76 F10 (0.48) PKMKDM4EPOLBALDH1A1MAPT
SCHEMBL12466600 0.76 CCR2 (0.61) CCR2PKMKDM4EPOLBALDH1A1
SCHEMBL6594219 0.76 CCR2 (0.57) MCL1CCR2GPR35
SCHEMBL30622480 0.74 CCR2 (0.61) MCL1CCR2KDM4EALDH1A1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCL1 3229/4885CCR2 4191/4885PKM 3119/4885

“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.