SCHEMBL700511

SCHEMBL700511

CCn1c(C(=O)O)cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.73
LTB4R Q15722 1/20 0.67
LTB4R2 Q9NPC1 1/20 0.67
PLA2G4A P47712 3/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
F10 P00742 2/20 0.52
GPR35 Q9HC97 1/20 0.50
SRD5A1 P18405 1/20 0.50
ACSS2 Q9NR19 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CCR2 P41597 3/20 0.49
ALOX5 P09917 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
SCHEMBL13802531 0.90 SRD5A2 (0.74) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL13802519 0.86 SRD5A2 (0.72) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL4369346 0.85 GPR35 (0.56) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL4470968 0.85 SRD5A2 (1.00) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL3102127 0.83 SRD5A2 (0.67) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL3967516 0.83 CCR2 (0.73) SRD5A2LTB4RLTB4R2PLA2G4AF10
SCHEMBL2015584 0.83 SRD5A2 (0.63) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL3639124 0.82 SRD5A2 (0.69) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL18733284 0.82 LTB4R (0.63) SRD5A2LTB4RLTB4R2PLA2G4AMEN1
SCHEMBL1552604 0.81 SRD5A2 (0.72) SRD5A2LTB4RLTB4R2MEN1NPC1

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 SRD5A2 551/4885LTB4R 1723/4885LTB4R2 1235/4885

“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.