SCHEMBL2441664

SCHEMBL2441664

CCOC(=O)/C=C1\CCn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2441665 1.00 SRD5A2 (0.47) SRD5A2MEN1KMT2AHSP90AA1NPC1
SCHEMBL2018949 0.94 SRD5A2 (0.46) SRD5A2MEN1KMT2AHSP90AA1NPC1
SCHEMBL2018948 0.94 SRD5A2 (0.46) SRD5A2MEN1KMT2AHSP90AA1NPC1
SCHEMBL2016768 0.88 SRD5A2 (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL16918467 0.88 SRD5A2 (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2016771 0.88 SRD5A2 (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2021474 0.88 SRD5A2 (0.49) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2447542 0.88 SRD5A2 (0.49) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2447541 0.88 SRD5A2 (0.49) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL14327889 0.82 MEN1 (0.51) SRD5A2MEN1KMT2ANPC1RAB9A

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
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO 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 (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-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 SRD5A2 677/4885MEN1 2159/4885KMT2A 4146/4885

“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.