SCHEMBL10088948

SCHEMBL10088948

C[C@H](Oc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1Br)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.33
MAOA P21397 9/20 0.33
ALOX5 P09917 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 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
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 2/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL10088597 0.90 S1PR1 (0.36) MAOBMAOANPC1RAB9AMEN1
SCHEMBL10088454 0.90 S1PR1 (0.40) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL10088469 0.90 RORC (0.36) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL10088599 0.89 FFAR1 (0.33) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL10088949 0.88 MRGPRX4 (0.37) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL10088953 0.82 MAOB (0.32) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL10088652 0.82 S1PR1 (0.46) MAOBMAOAALOX5S1PR1
SCHEMBL10088958 0.79 MAOA (0.32) MAOBMAOAALOX5S1PR1
SCHEMBL10088951 0.79 S1PR1 (0.36) MAOBMAOAALOX5MEN1KMT2A
SCHEMBL10088536 0.79 CSNK2A1 (0.40) MAOBMAOAMEN1KMT2AS1PR1

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 MAOB 2521/4885MAOA 2123/4885ALOX5 257/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 MAOB 3106/4885MAOA 2984/4885ALOX5 377/4885

“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.