SCHEMBL10088922

SCHEMBL10088922

CC1=C(C=O)COc2cc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.47
MAOB P27338 6/20 0.40
MAOA P21397 4/20 0.40
SLC6A4 P31645 1/20 0.37
SRD5A2 P31213 1/20 0.36
ESRRA P11474 3/20 0.35
PRKD3 O94806 1/20 0.35
S1PR1 P21453 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FFAR1 O14842 2/20 0.35
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35
FOXM1 Q08050 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP26A1 O43174 1/20 0.34
RXRA P19793 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
SCHEMBL10088527 0.91 MAOB (0.39) SRD5A1MAOBMAOAFFAR1PPARD
SCHEMBL10088929 0.90 SRD5A1 (0.47) SRD5A1MAOBMAOASLC6A4SRD5A2
SCHEMBL10088940 0.88 SLC6A4 (0.41) SRD5A1MAOBMAOASLC6A4SRD5A2
SCHEMBL10089035 0.85 MAOB (0.41) SRD5A1MAOBMAOASLC6A4SRD5A2
SCHEMBL1874151 0.83 SRD5A1 (0.55) SRD5A1MAOBMAOASLC6A4SRD5A2
SCHEMBL10088528 0.82 MAOB (0.47) SRD5A1MAOBMAOAFFAR1
SCHEMBL10088460 0.82 MAOB (0.38) SRD5A1MAOBMAOAFFAR1
SCHEMBL10088902 0.81 MAOB (0.42) SRD5A1MAOBMAOASLC6A4SRD5A2
SCHEMBL12441109 0.81 SRD5A1 (0.37) SRD5A1MAOBMAOASLC6A4SRD5A2
SCHEMBL10088636 0.79 MAOB (0.40) SRD5A1MAOBMAOAFFAR1PPARD

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 397/4885MAOB 2521/4885MAOA 2123/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SRD5A1 494/4885MAOB 3106/4885MAOA 2984/4885

“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.