SCHEMBL2282133

SCHEMBL2282133

COc1c[c]cc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
AR P10275 7/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR2B P41595 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
SCHEMBL3392921 0.87 MITF (0.32) HTR2AHTR2CAR
SCHEMBL4162641 0.80 ALDH1A1 (0.36) HTR2AHTR2CARPGRALDH1A1
SCHEMBL2288577 0.80 AR (0.31) ARALDH1A1HPGDHSD17B10
SCHEMBL3457898 0.80 HTR2A (0.35) HTR2AHTR2CARPGRALDH1A1
SCHEMBL2283173 0.80 HTR2A (0.35) HTR2AHTR2CARPGRALDH1A1
SCHEMBL2285613 0.80 HTR2A (0.32) HTR2AHTR2C
SCHEMBL2288100 0.78 HTR2A (0.34) HTR2AHTR2CARPGR
SCHEMBL2291144 0.78 HTR2A (0.34) HTR2AHTR2CARPGR
SCHEMBL2291534 0.78 POLB (0.31)
SCHEMBL2285789 0.78 NOTUM (0.35) HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 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 (1 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-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 HTR2A 649/4885HTR2C 369/4885AR 1233/4885

“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.