SCHEMBL10088974

SCHEMBL10088974

O=CC1=Cc2ccc(OCc3ccc(C(F)(F)F)cc3-c3ccccc3)cc2OC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
RXRA P19793 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PPARD Q03181 1/20 0.35
PTGER4 P35408 1/20 0.34
SRD5A2 P31213 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 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
SCHEMBL10088637 0.86 MAOB (0.39) MAOBMAOAPTGDR2FFAR4FFAR1
SCHEMBL2326732 0.85 SRD5A1 (0.42) MAOBMAOARXRANR1H2NR1H3
SCHEMBL10088917 0.85 MAOA (0.39) MAOBMAOAFFAR1RXRANR1H2
SCHEMBL2323503 0.82 S1PR1 (0.49) MAOBMAOAALOX5
SCHEMBL10088997 0.81 MAOB (0.41) MAOBMAOAFFAR1ALOX5
SCHEMBL10088526 0.81 MAOB (0.44) MAOBMAOA
SCHEMBL10088900 0.81 MAOB (0.55) MAOBMAOAALOX5
SCHEMBL10088998 0.80 S1PR5 (0.51) ALOX5
SCHEMBL10088470 0.78 MAOB (0.49) MAOBMAOAFFAR1ALOX5
SCHEMBL10088923 0.78 AR (0.35) MAOBMAOAFFAR4ALOX5SRD5A2

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 MAOB 2521/4885MAOA 2123/4885PTGDR2 140/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAOB 3106/4885MAOA 2984/4885PTGDR2 138/4885

“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.