SCHEMBL10088977

SCHEMBL10088977

C[C@H](Oc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.33
S1PR1 P21453 4/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
AR P10275 2/20 0.32
ALOX5 P09917 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
EPHX2 P34913 1/20 0.30
PIK3CA P42336 1/20 0.30
SRD5A2 P31213 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
SCHEMBL10088614 0.93 TP53 (0.34) SRD5A1S1PR1MAOBMAOAAR
SCHEMBL10088574 0.88 SRD5A1 (0.35) SRD5A1MAOBMAOAARALOX5
SCHEMBL10088534 0.87 MAOA (0.31) SRD5A1S1PR1MAOBMAOA
SCHEMBL10088923 0.87 AR (0.35) SRD5A1MAOBMAOAARALOX5
SCHEMBL10088458 0.86 RAB9A (0.37) SRD5A1MAOBMAOAARALOX5
SCHEMBL2326732 0.85 SRD5A1 (0.42) SRD5A1MAOBMAOAARALOX5
SCHEMBL10088454 0.84 S1PR1 (0.40) S1PR1MAOBMAOAARALOX5
SCHEMBL10088949 0.84 MRGPRX4 (0.37) S1PR1MAOBMAOAARALOX5
SCHEMBL10088526 0.83 MAOB (0.44) MAOBMAOAARLMNARAB9A
SCHEMBL10088958 0.82 MAOA (0.32) S1PR1MAOBMAOAARALOX5

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 SRD5A1 397/4885S1PR1 1/4885MAOB 2521/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SRD5A1 494/4885S1PR1 1/4885MAOB 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.