SCHEMBL1868779

SCHEMBL1868779

O=CC1=Cc2ccc(OCCCc3ccc(Cl)cc3)cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
MAOA P21397 11/20 0.44
MAOB P27338 11/20 0.44
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HPGD P15428 1/20 0.36
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
SRD5A1 P18405 1/20 0.34

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
SCHEMBL9220414 0.81 S1PR1 (0.40) S1PR1S1PR3MAOBL3MBTL1PPARD
SCHEMBL10088525 0.80 MAOB (0.47) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL1876268 0.75 S1PR1 (0.47) S1PR1S1PR3MAOAMAOBSLC6A2
SCHEMBL9165973 0.74 MAOA (0.51) S1PR1S1PR3MAOAMAOBSRD5A1
SCHEMBL676593 0.73 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL346730 0.72 CYP11B2 (0.54) MAOAMAOB
SCHEMBL7148366 0.72 ALDH1A1 (0.45) MAOAMAOBSLC6A4HPGDL3MBTL1
SCHEMBL21331832 0.71 ALDH1A1 (0.59) MAOBHPGDL3MBTL1FFAR1PPARG
SCHEMBL946052 0.71 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2117296 0.68 ERN1 (0.35)

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-B1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO (JP) 2014-12-03 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
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP 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 S1PR1 3/4885S1PR3 15/4885MAOA 1581/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOA 1581/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOA 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.