SCHEMBL10088940

SCHEMBL10088940

O=CC1=C(Cl)c2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2OC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SRD5A1 P18405 2/20 0.41
MAOB P27338 6/20 0.40
MAOA P21397 4/20 0.40
AR P10275 3/20 0.38
SRD5A2 P31213 1/20 0.36
ESRRA P11474 3/20 0.35
PIM1 P11309 1/20 0.35
PDGFRA P16234 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL10088902 0.90 MAOB (0.42) SLC6A4SRD5A1MAOBMAOAAR
SCHEMBL10088460 0.89 MAOB (0.38) SRD5A1MAOBMAOAAR
SCHEMBL10088922 0.88 SRD5A1 (0.47) SLC6A4SRD5A1MAOBMAOASRD5A2
SCHEMBL10089035 0.85 MAOB (0.41) SLC6A4SRD5A1MAOBMAOASRD5A2
SCHEMBL10088929 0.81 SRD5A1 (0.47) SLC6A4SRD5A1MAOBMAOASRD5A2
SCHEMBL12441109 0.81 SRD5A1 (0.37) SLC6A4SRD5A1MAOBMAOASRD5A2
SCHEMBL10088464 0.80 MAOB (0.45) SRD5A1MAOBMAOAAR
SCHEMBL10088527 0.79 MAOB (0.39) SRD5A1MAOBMAOAAR
SCHEMBL2326732 0.78 SRD5A1 (0.42) SLC6A4SRD5A1MAOBMAOAAR
SCHEMBL10089020 0.78 S1PR1 (0.53) PIM1PDGFRAS1PR1S1PR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC6A4 2336/4885SRD5A1 397/4885MAOB 2521/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SLC6A4 2561/4885SRD5A1 494/4885MAOB 3106/4885

“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.