SCHEMBL1109101

SCHEMBL1109101

Nc1cccc(CC(O)C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP19A1 P11511 1/20 0.43
ADRB2 P07550 4/20 0.43
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
DDX3X O00571 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GLS O94925 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL19609050 0.80 ENPP2 (0.47) CYP3A4
SCHEMBL3078044 0.79 MAOB (0.52) MAOAMAOBCYP19A1ADRB2CPN1
SCHEMBL9600634 0.79 TP53 (0.46) MAOAMAOBCYP19A1ADRB2TSHR
SCHEMBL21368939 0.77 MAOB (0.50) MAOAMAOBCYP19A1ADRB2CPN1
SCHEMBL122782 0.77 EPHX1 (0.50)
SCHEMBL5561130 0.77 EPHX1 (0.50)
SCHEMBL514290 0.77 EPHX1 (0.50)
SCHEMBL10371950 0.76 FOLH1 (0.56)
SCHEMBL7865952 0.76 MAOB (0.48) MAOAMAOBCYP19A1ADRB2CPN1
SCHEMBL8281166 0.76 ADRB2 (0.52) MAOAMAOBCYP19A1ADRB2CYP3A4

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-8153841-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-04-10 US disclosed
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2009-02-19 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-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field EGFR, ERBB3, FGFR3 MAOA 3519/4885MAOB 2770/4885CYP19A1 770/4885

“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.