SCHEMBL368622

SCHEMBL368622

O=C(C=Cc1cc(Cl)cc(Cl)c1)c1ccc(=O)[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
CYP1B1 Q16678 2/20 0.46
CXCL12 P48061 2/20 0.46
EPHX2 P34913 1/20 0.45
MAOA P21397 3/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PTGS2 P35354 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL368621 1.00 MAOB (0.47) MAOBCYP1B1CXCL12EPHX2MAOA
SCHEMBL368229 0.84 TNFRSF1A (0.49) MAOBCYP1B1MAOACYP1A1CYP2D6
SCHEMBL368230 0.84 TNFRSF1A (0.49) MAOBCYP1B1MAOACYP1A1CYP2D6
SCHEMBL370065 0.80 EPHX2 (0.50) MAOBCYP1B1EPHX2CYP1A2CYP2D6
SCHEMBL370064 0.80 EPHX2 (0.50) MAOBCYP1B1EPHX2CYP1A2CYP2D6
SCHEMBL1390469 0.78 EPHX2 (0.45) MAOBCYP1B1EPHX2MAOACYP1A1
SCHEMBL371063 0.78 EPHX2 (0.45) MAOBCYP1B1EPHX2MAOACYP1A1
SCHEMBL368684 0.78 EPHX2 (0.45) CYP1B1EPHX2CYP1A1
SCHEMBL368685 0.78 EPHX2 (0.45) CYP1B1EPHX2CYP1A1
SCHEMBL15748355 0.74 SNCA (0.53) MAOBCYP1B1CXCL12MAOAABCG2

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 MAOB 1814/4885CYP1B1 84/4885CXCL12 3072/4885

“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.