SCHEMBL10088587

SCHEMBL10088587

CC1=C(C=O)CCc2cc(OCc3sc(C)c(-c4ccccc4)c3C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
S1PR1 P21453 10/20 0.36
CD274 Q9NZQ7 2/20 0.35
S1PR3 Q99500 5/20 0.35
ESR1 P03372 1/20 0.34
SRD5A1 P18405 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL10310545 0.89 MAOA (0.36) MAOAMAOBS1PR1CD274S1PR3
SCHEMBL10088584 0.82 MAOA (0.38) MAOAMAOBS1PR1CD274S1PR3
SCHEMBL450942 0.80 MAOB (0.56) MAOAMAOBS1PR1SRD5A1
SCHEMBL10088965 0.79 S1PR1 (0.49) MAOAMAOBS1PR1S1PR3
SCHEMBL10088766 0.77 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL21300674 0.75 MAOB (0.51) MAOAMAOBS1PR1SRD5A1
SCHEMBL316466 0.69 CYP26A1 (0.48)
SCHEMBL27642474 0.68 S1PR1 (0.59) MAOAMAOBS1PR1S1PR3
SCHEMBL1874151 0.67 SRD5A1 (0.55) MAOAMAOBS1PR1SRD5A1
SCHEMBL31435344 0.67 MAOB (0.44) MAOAMAOBS1PR1SRD5A1

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 3 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

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 MAOA 2123/4885MAOB 2521/4885S1PR1 1/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAOA 2984/4885MAOB 3106/4885S1PR1 1/4885

“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.