SCHEMBL700805

SCHEMBL700805

CCn1c(C(=O)O)cc2c(OCC(C)C)cccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 5/20 0.44
PKM P14618 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
GPR35 Q9HC97 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NTRK1 P04629 1/20 0.41
HTT P42858 1/20 0.39
PTGER1 P34995 3/20 0.39
DHODH Q02127 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 0.88 CCR2 (0.51) CCR2MCL1KDM4EPKMPOLB
SCHEMBL700831 0.86 MCL1 (0.52) CCR2MCL1KDM4EPKMPOLB
SCHEMBL699964 0.84 CCR2 (0.65) CCR2KDM4EPKMPOLBALDH1A1
SCHEMBL699819 0.76 GPR35 (0.53) CCR2KDM4EPKMPOLBALDH1A1
SCHEMBL699903 0.75 F10 (0.48) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL12466600 0.75 CCR2 (0.61) CCR2KDM4EPKMPOLBALDH1A1
SCHEMBL702060 0.72 F10 (0.48) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL699773 0.72 CCR2 (0.63) CCR2KDM4EPKMPOLBALDH1A1
SCHEMBL31008782 0.72 CCR2 (0.51) CCR2KDM4EALDH1A1MAPTHPGD
SCHEMBL8848443 0.71 CA12 (0.55) ALDH1A1GPR35PTGER1DHODHLMNA

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 8 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
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 3229/4885KDM4E 2709/4885

“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.