SCHEMBL368539

SCHEMBL368539

Cc1cc(Cl)ccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(Oc2ccc(Cl)c(C(=O)O)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.37
ADRB3 P13945 3/20 0.35
ADRB1 P08588 2/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
P2RX3 P56373 1/20 0.33
SERPINE1 P05121 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL369771 0.92 P2RX3 (0.37) FFAR1ADRB3ADRB1POLBFNTA
SCHEMBL368967 0.92 BAZ2B (0.40) FFAR1POLBCYP2C9KMT2AFNTA
SCHEMBL1389755 0.90 GPBAR1 (0.36) FFAR1ADRB3ADRB1FNTAFNTB
SCHEMBL1389758 0.90 GPBAR1 (0.36) FFAR1ADRB3ADRB1FNTAFNTB
SCHEMBL371041 0.90 FFAR1 (0.37) FFAR1POLB
SCHEMBL368992 0.88 CREBBP (0.41) ADRB3ADRB1POLBMEN1CYP2C9
SCHEMBL369275 0.87 P2RX3 (0.39) FFAR1POLBCYP2C9FNTAFNTB
SCHEMBL369581 0.85 POLB (0.40) FFAR1POLBMEN1CYP2C9KMT2A
SCHEMBL368801 0.84 P2RX3 (0.42) FFAR1FNTAFNTBP2RX3
SCHEMBL364646 0.83 P2RX3 (0.37) FFAR1ADRB3ADRB1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 FFAR1 14/4885ADRB3 15/4885ADRB1 3/4885

“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.