SCHEMBL5194485

SCHEMBL5194485

O=C(O)c1ccc(OCCO)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
CMA1 P23946 1/20 0.44
GAA P10253 1/20 0.44
PRKAB2 O43741 4/20 0.44
PRKAG1 P54619 4/20 0.44
PRKAA2 P54646 4/20 0.44
PRKAA1 Q13131 4/20 0.44
PRKAG3 Q9UGI9 4/20 0.44
PRKAG2 Q9UGJ0 4/20 0.44
PRKAB1 Q9Y478 4/20 0.44
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
PTPN11 Q06124 1/20 0.42
S1PR1 P21453 1/20 0.42
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
ASPH Q12797 1/20 0.41

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
SCHEMBL5461052 0.88 THRA (0.47) THRATHRBFFAR4GAAS1PR1
SCHEMBL16726472 0.86 THRA (0.64) THRATHRBRARARARBPTPN11
SCHEMBL14430363 0.85 THRA (0.50) THRATHRBPRKAB2PRKAG1PRKAA2
SCHEMBL26641029 0.83 KDM4E (0.50) THRATHRBALDH1A1
SCHEMBL20556512 0.82 THRA (0.70) THRATHRBRARBPTPN11
SCHEMBL5195144 0.82 THRA (0.48) THRATHRBFFAR4RARARARB
SCHEMBL27195874 0.82 THRA (0.63) THRATHRBPDK2ALDH1A1
SCHEMBL5191638 0.82 TDP1 (0.45) THRATHRBFFAR4GAAALDH1A1
SCHEMBL14104475 0.82 ALDH1A1 (0.53) GAAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1941122 0.80 THRA (0.45) THRATHRBALDH1A1ASPHSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both AVPR2, AVPR1A, AVPR1B THRA 493/4885THRB 499/4885FFAR4 99/4885

“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.