SCHEMBL1004288

SCHEMBL1004288

O=C(c1ccc(CO)cc1)c1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
RXRA P19793 1/20 0.41
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL1002846 0.80 CES2 (0.53) CYP4F2CYP4A11CES2CES1S1PR1
SCHEMBL13664920 0.78 CES2 (0.47) SRD5A2CYP4F2CYP4A11CES2CES1
SCHEMBL8611045 0.77 ALDH1A1 (0.52) SRD5A2RARARARBRARGRXRA
SCHEMBL8186531 0.76 PRSS1 (0.52) SRD5A2PRSS1PRSS2PRSS3S1PR1
SCHEMBL7016563 0.75 S1PR1 (0.57) CES2CES1S1PR1NPC1HPGD
SCHEMBL13291389 0.73 CES2 (0.42) RARARARBRARGRXRACES2
SCHEMBL11412227 0.73 MEN1 (0.49) SRD5A2PRSS1PRSS2PRSS3NPC1
SCHEMBL13758195 0.72 AKR1C3 (0.43) SRD5A2RARARARBRARGRXRA
SCHEMBL13664918 0.72 CES2 (0.44) SRD5A2CYP4F2CYP4A11CES2CES1
SCHEMBL7602430 0.71 KDM4E (0.56) SRD5A2SMN1; SMN2

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 SRD5A2 333/4885CYP4F2 698/4885CYP4A11 552/4885

“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.