SCHEMBL1390459

SCHEMBL1390459

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.41
BRD4 O60885 3/20 0.38
FFAR1 O14842 1/20 0.38
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
PTPN1 P18031 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
PHGDH O43175 1/20 0.35

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
SCHEMBL1390458 1.00 GPBAR1 (0.41) GPBAR1BRD4FFAR1MGAMGAA
Hydroxyamine SCHEMBL1390677 0.98 GPBAR1 (0.40) GPBAR1BRD4FFAR1MGAMGAA
SCHEMBL14891642 0.90 BRD4 (0.45) GPBAR1BRD4MGAMGAASI
SCHEMBL14891644 0.90 BRD4 (0.45) GPBAR1BRD4MGAMGAASI
SCHEMBL1390094 0.89 GPBAR1 (0.45) GPBAR1BRD4MGAMGAASI
Hydrochloric Acid SCHEMBL1390678 0.88 GPBAR1 (0.38) GPBAR1BRD4MGAMGAASI
SCHEMBL1389895 0.88 GPBAR1 (0.52) GPBAR1BRD4FFAR1PTGS2KDM4E
SCHEMBL1389893 0.88 GPBAR1 (0.52) GPBAR1BRD4FFAR1PTGS2KDM4E
SCHEMBL1389899 0.88 GPBAR1 (0.52) GPBAR1BRD4FFAR1PTGS2KDM4E
SCHEMBL1389896 0.88 GPBAR1 (0.52) GPBAR1BRD4FFAR1PTGS2KDM4E

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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885BRD4 3540/4885FFAR1 14/4885

“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.