SCHEMBL1874151

SCHEMBL1874151

CC1=C(C=O)CCc2cc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.55
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CYP26A1 O43174 2/20 0.42
CYP24A1 Q07973 2/20 0.41
SRD5A2 P31213 1/20 0.38
ESRRA P11474 3/20 0.37
S1PR1 P21453 4/20 0.37
SLC6A4 P31645 1/20 0.36
FOXM1 Q08050 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10088929 0.85 SRD5A1 (0.47) SRD5A1MAOBMAOACYP26A1SRD5A2
SCHEMBL10088922 0.83 SRD5A1 (0.47) SRD5A1MAOBMAOACYP26A1SRD5A2
SCHEMBL31435341 0.79 S1PR1 (0.45) SRD5A1MAOBMAOACYP26A1CYP24A1
SCHEMBL2698781 0.77 SRD5A1 (0.52) SRD5A1MAOBMAOASRD5A2ESRRA
SCHEMBL10088528 0.76 MAOB (0.47) SRD5A1MAOBMAOA
SCHEMBL10088588 0.76 SRD5A1 (0.42) SRD5A1MAOBMAOACYP24A1S1PR1
SCHEMBL1876491 0.76 S1PR1 (0.68) S1PR1
SCHEMBL10088902 0.75 MAOB (0.42) SRD5A1MAOBMAOACYP26A1SRD5A2
SCHEMBL450942 0.75 MAOB (0.56) SRD5A1MAOBMAOAS1PR1
Water SCHEMBL1871106 0.75 S1PR1 (0.67) S1PR1

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
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP claimed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP claimed
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP 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 (3 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 SRD5A1 453/4885MAOB 1836/4885MAOA 1581/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 SRD5A1 453/4885MAOB 1836/4885MAOA 1581/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 SRD5A1 453/4885MAOB 1836/4885MAOA 1581/4885

“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.