SCHEMBL93106

SCHEMBL93106

CCCCOc1ccc(-c2cc(C(=O)OCC)n[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALPL P05186 1/20 0.52
CYP2D6 P10635 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP19A1 P11511 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAPT P10636 1/20 0.45
SMPD1 P17405 1/20 0.44
HRH2 P25021 1/20 0.43

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
SCHEMBL11887698 0.84 KMT2A (0.60) KMT2AL3MBTL1NPSR1ALPLCYP1A2
SCHEMBL70249 0.83 GABRA1 (0.54) KMT2AL3MBTL1NPSR1NPC1RAB9A
SCHEMBL71634 0.83 KMT2A (0.59) KMT2AL3MBTL1NPSR1ALPLCYP1A2
SCHEMBL28391446 0.82 SMPD1 (0.61) ALPLCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL2427777 0.82 KMT2A (0.53) KMT2AL3MBTL1NPSR1ALPLNPC1
SCHEMBL30988463 0.82 KMT2A (0.57) KMT2AL3MBTL1NPSR1ALPLCYP1A2
SCHEMBL3501972 0.82 KMT2A (0.57) KMT2AL3MBTL1NPSR1NPC1RAB9A
SCHEMBL5016810 0.82 NPSR1 (0.63) KMT2AL3MBTL1NPSR1ALPLNPC1
SCHEMBL10878638 0.82 NPSR1 (0.52) KMT2AL3MBTL1NPSR1ALPLNPC1
SCHEMBL69842 0.81 KMT2A (0.64) KMT2AL3MBTL1NPSR1CYP1A2NPC1

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 2 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
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 KMT2A 1352/4885L3MBTL1 4379/4885NPSR1 3026/4885

“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.