SCHEMBL2447541

SCHEMBL2447541

CC(C)(C)OC(=O)/C=C1\CCn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.49
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GHSR Q92847 5/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALOX5 P09917 1/20 0.38
YAP1 P46937 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL2021474 1.00 SRD5A2 (0.49) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2447542 1.00 SRD5A2 (0.49) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5350483 0.94 SRD5A2 (0.48) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5350478 0.94 SRD5A2 (0.48) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2441664 0.88 SRD5A2 (0.47) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2441665 0.88 SRD5A2 (0.47) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL16918467 0.87 SRD5A2 (0.50) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2016768 0.87 SRD5A2 (0.50) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL2016771 0.87 SRD5A2 (0.50) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL16918443 0.85 HRH3 (0.41) MEN1KMT2AALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542554-B1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARM INC (US) 2015-11-04 EP disclosed
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO 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 (2 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-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 SRD5A2 692/4885MEN1 2072/4885NPC1 750/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 SRD5A2 677/4885MEN1 2159/4885NPC1 781/4885

“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.