SCHEMBL368801

SCHEMBL368801

COC(=O)c1cccc(Oc2ccc(C(CC(=O)c3ccc(=O)n(C)c3)c3ccc(Cl)cc3C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.42
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 2/20 0.36
CREBBP Q92793 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 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
SCHEMBL368992 0.93 CREBBP (0.41) P2RX3CREBBP
SCHEMBL370636 0.89 BRD4 (0.37) P2RX3LMNAL3MBTL1
SCHEMBL1390419 0.89 LMNA (0.43) LMNAL3MBTL1FFAR1CREBBP
SCHEMBL369275 0.88 P2RX3 (0.39) P2RX3FNTAFNTBLMNAL3MBTL1
SCHEMBL368800 0.87 FFAR1 (0.35) LMNAL3MBTL1FFAR1CREBBP
SCHEMBL368539 0.84 FFAR1 (0.37) P2RX3FNTAFNTBFFAR1
SCHEMBL369771 0.84 P2RX3 (0.37) P2RX3FNTAFNTBFFAR1
SCHEMBL364385 0.83 P2RX3 (0.41) P2RX3CREBBP
SCHEMBL364384 0.83 P2RX3 (0.41) P2RX3CREBBP
SCHEMBL368967 0.83 BAZ2B (0.40) FNTAFNTBLMNAL3MBTL1FFAR1

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 P2RX3 195/4885FNTA 2778/4885FNTB 2571/4885

“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.