SCHEMBL10088463

SCHEMBL10088463

Cc1ccc(COc2cc(C)c3c(c2)OCC(C=O)=C3)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F2 P00734 1/20 0.32
AR P10275 2/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 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
SCHEMBL10088465 0.91 SRD5A1 (0.31) SRD5A1NPC1RAB9AF2AR
SCHEMBL10088901 0.91 SRD5A1 (0.42) SRD5A1MAOBMAOA
SCHEMBL10088529 0.90 FOXM1 (0.33) SRD5A1NPC1RAB9AF2
SCHEMBL10088458 0.85 RAB9A (0.37) SRD5A1NPC1RAB9AARMAOB
SCHEMBL10310541 0.81 EPHX2 (0.36) NPC1RAB9AAR
SCHEMBL10088904 0.80 SRD5A1 (0.37) SRD5A1ARMAOBMAOA
SCHEMBL10088936 0.80 ESRRA (0.41) SRD5A1NPC1RAB9AMAOBMAOA
SCHEMBL10088577 0.80 SLC6A4 (0.34) AR
SCHEMBL10088640 0.77 PTGER4 (0.36) ARMAOB
SCHEMBL10088534 0.77 MAOA (0.31) SRD5A1MAOBMAOA

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 397/4885NPC1 372/4885RAB9A 3084/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 SRD5A1 494/4885NPC1 271/4885RAB9A 2932/4885

“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.