SCHEMBL368992

SCHEMBL368992

Cc1cc(Cl)ccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(Oc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
P2RX3 P56373 6/20 0.41
PPARG P37231 4/20 0.41
ADRB3 P13945 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
KMO O15229 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.38
ENPP2 Q13822 1/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL368801 0.93 P2RX3 (0.42) CREBBPP2RX3
SCHEMBL364385 0.90 P2RX3 (0.41) CREBBPP2RX3PPARGADRB3MRGPRX4
SCHEMBL364384 0.90 P2RX3 (0.41) CREBBPP2RX3PPARGADRB3MRGPRX4
SCHEMBL370348 0.89 MRGPRX4 (0.42) CREBBPP2RX3PPARGMRGPRX4ENPP2
SCHEMBL368539 0.88 FFAR1 (0.37) P2RX3ADRB3POLBMEN1KMT2A
SCHEMBL369771 0.87 P2RX3 (0.37) P2RX3ADRB3POLBADRB1
SCHEMBL369581 0.87 POLB (0.40) CREBBPPOLBMEN1KMT2ACYP2C9
SCHEMBL368967 0.84 BAZ2B (0.40) POLBKMT2ACYP2C9
SCHEMBL369275 0.84 P2RX3 (0.39) P2RX3POLBCYP2C9
SCHEMBL371309 0.83 POLB (0.40) CREBBPPOLBMEN1KMT2ACYP2C9

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 CREBBP 2198/4885P2RX3 195/4885PPARG 161/4885

“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.