SCHEMBL93105

SCHEMBL93105

CCCCOc1cccc(-c2cc(C(=O)O)n[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
PLA2G4B P0C869 3/20 0.49
NR1H4 Q96RI1 2/20 0.49
PTPN11 Q06124 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCAR2 Q8TDS4 3/20 0.46
HCAR3 P49019 2/20 0.46
KMT2A Q03164 2/20 0.46
NR4A2 P43354 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL91498 0.86 PLA2G4B (0.47) DHODHPLA2G4BNR1H4KMT2ANR4A2
SCHEMBL3516832 0.82 ALDH1A1 (0.57) KMT2ASMN1; SMN2MEN1POLBMAPT
SCHEMBL68122 0.81 MRGPRX4 (0.54) DHODHNR1H4HCAR2NR4A2MAPT
SCHEMBL31130438 0.77 KMT2A (0.56) CYP1A2KMT2APOLBMAPT
SCHEMBL70801 0.74 HCAR2 (0.56) HCAR2KMT2ANR4A2SMN1; SMN2MEN1
SCHEMBL29114953 0.74 KMO (0.52) DHODHHCAR2HCAR3KMT2ASMN1; SMN2
SCHEMBL30683711 0.74 KMO (0.52) DHODHHCAR2HCAR3KMT2ASMN1; SMN2
SCHEMBL73351 0.74 MEN1 (0.53) CYP2C9HCAR2KMT2AMEN1POLB
SCHEMBL28391446 0.74 SMPD1 (0.61) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL93106 0.74 KMT2A (0.53) CYP1A2CYP19A1CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 DHODH 157/4885PLA2G4B 806/4885NR1H4 778/4885

“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.