SCHEMBL10088901

SCHEMBL10088901

Cc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc2c1C=C(C=O)CO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.42
ESRRA P11474 4/20 0.35
SLC6A4 P31645 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
SRD5A2 P31213 1/20 0.33
FOXM1 Q08050 1/20 0.33
RXRA P19793 3/20 0.32
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 2/20 0.32
PRKD3 O94806 1/20 0.32
S1PR1 P21453 1/20 0.32
CDK7 P50613 1/20 0.32
JAK3 P52333 1/20 0.32
TNK2 Q07912 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ALOX5 P09917 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL10088463 0.91 SRD5A1 (0.33) SRD5A1MAOAMAOB
SCHEMBL10088904 0.89 SRD5A1 (0.37) SRD5A1ESRRASLC6A4MAOAMAOB
SCHEMBL10088936 0.89 ESRRA (0.41) SRD5A1ESRRASLC6A4MAOAMAOB
SCHEMBL2326732 0.83 SRD5A1 (0.42) SRD5A1ESRRASLC6A4MAOAMAOB
SCHEMBL10088465 0.83 SRD5A1 (0.31) SRD5A1
SCHEMBL10088529 0.81 FOXM1 (0.33) SRD5A1ESRRAFOXM1MRGPRX4
SCHEMBL10310541 0.80 EPHX2 (0.36) FOXM1
SCHEMBL10088577 0.79 SLC6A4 (0.34) SLC6A4ALOX5POLQ
SCHEMBL12441145 0.77 S1PR1 (0.51) SRD5A1PRKD3S1PR1CDK7JAK3
SCHEMBL10088640 0.77 PTGER4 (0.36) MAOBRXRANR1H2NR1H3S1PR1

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-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 SRD5A1 397/4885ESRRA 645/4885SLC6A4 2336/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SRD5A1 494/4885ESRRA 303/4885SLC6A4 2561/4885

“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.