SCHEMBL10088946

SCHEMBL10088946

CCc1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
PPARD Q03181 4/20 0.34
FFAR1 O14842 2/20 0.34
PPARG P37231 2/20 0.34
S1PR4 O95977 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR5 Q9H228 3/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR4A2 P43354 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 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
SCHEMBL10088638 0.88 FFAR1 (0.39) MAOBMAOAPPARDFFAR1PPARG
SCHEMBL10088570 0.88 MAOB (0.38) MAOBMAOAPPARDFFAR1S1PR4
SCHEMBL2327634 0.85 MAOA (0.32) MAOBMAOAPPARDFFAR1S1PR4
SCHEMBL10088572 0.81 MAOB (0.36) MAOBMAOAPPARDFFAR1S1PR4
SCHEMBL10089062 0.81 S1PR5 (0.51) S1PR4S1PR1S1PR3S1PR5
SCHEMBL2323503 0.81 S1PR1 (0.49) MAOBMAOAS1PR4S1PR1S1PR3
SCHEMBL10088639 0.80 NR1H4 (0.32) MAOBMAOAPPARDFFAR1L3MBTL1
SCHEMBL2324659 0.79 NR1H4 (0.32) MAOBMAOAALOX5
SCHEMBL10088450 0.77 MAOB (0.39) MAOBMAOAPPARDFFAR1S1PR4
SCHEMBL10088974 0.77 MAOB (0.40) MAPTPOLBMAOBMAOAPPARD

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 MAPT 4495/4885POLB 4232/4885MAOB 2521/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAPT 4479/4885POLB 4404/4885MAOB 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.