SCHEMBL1002201

SCHEMBL1002201

OCc1ccc(C(O)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
KIF11 P52732 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HTT P42858 2/20 0.35
ADAM17 P78536 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
GRIN2B Q13224 1/20 0.33
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
MME P08473 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
SCHEMBL18623110 0.84 KIF11 (0.35) KCNH2MCHR1KIF11CYP4F2CYP4A11
SCHEMBL3897101 0.84 CES2 (0.53) CES2CES1KCNH2MCHR1ADAM17
SCHEMBL30903827 0.84 CES2 (0.53) CES2CES1KCNH2MCHR1ADAM17
SCHEMBL14533503 0.82 TSHR (0.46) TSHR
SCHEMBL5930991 0.80 PTGS1 (0.44) HTTTSHR
SCHEMBL231190 0.79 CES2 (0.46) CES2CES1KCNH2ADAM17ADRA2B
SCHEMBL93021 0.75 CYP4F2 (0.50) CES2CES1KIF11CYP4F2CYP4A11
SCHEMBL9776610 0.74 TSHR (0.56) TSHR
SCHEMBL23882799 0.73 GAA (0.43) CES2CES1KIF11ADAM17ALDH1A1
SCHEMBL8670885 0.72 KIF11 (0.65) KIF11CYP4F2CYP4A11HTT

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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 CES2 2216/4885CES1 1259/4885KCNH2 2385/4885

“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.