SCHEMBL10088949

SCHEMBL10088949

C[C@H](Oc1cc(COc2ccc3c(c2)OCC(C=O)=C3)ccc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
AR P10275 4/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ALOX5 P09917 1/20 0.34
S1PR1 P21453 6/20 0.34
FFAR1 O14842 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10088454 0.93 S1PR1 (0.40) MRGPRX4ARMAOAMAOBALOX5
SCHEMBL10088599 0.90 FFAR1 (0.33) MAOAMAOBALOX5FFAR1MEN1
SCHEMBL10088948 0.88 MAOB (0.33) MAOAMAOBALOX5S1PR1FFAR1
SCHEMBL10088469 0.88 RORC (0.36) MAOAMAOBALOX5S1PR1S1PR4
SCHEMBL10088652 0.86 S1PR1 (0.46) MRGPRX4ARMAOAMAOBALOX5
SCHEMBL10088958 0.84 MAOA (0.32) ARMAOAMAOBALOX5S1PR1
SCHEMBL10088977 0.84 SRD5A1 (0.33) ARMAOAMAOBALOX5S1PR1
SCHEMBL10089013 0.83 PDE3B (0.37) MRGPRX4ARMAOAMAOBALOX5
SCHEMBL10088953 0.82 MAOB (0.32) MRGPRX4ARMAOAMAOBALOX5
SCHEMBL10088605 0.82 FFAR1 (0.38) MRGPRX4ARMAOAMAOBALOX5

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 MRGPRX4 319/4885AR 559/4885MAOA 2123/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MRGPRX4 205/4885AR 398/4885MAOA 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.