SCHEMBL369675

SCHEMBL369675

O=C(CC(c1ccccc1Cl)C1CCCC1)c1ccc[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL368733 0.89 GPR84 (0.39) GPR84KMT2AMEN1KDM4E
SCHEMBL369165 0.79 KMT2A (0.40) GPR84KMT2AMEN1ALDH1A1POLB
SCHEMBL370541 0.78 CNR1 (0.36) GPR84KMT2AMEN1ALDH1A1POLB
SCHEMBL368786 0.78 KMT2A (0.39) GPR84KMT2AMEN1ALDH1A1POLB
SCHEMBL370833 0.76 KMT2A (0.40) GPR84KMT2AMEN1ALDH1A1POLB
SCHEMBL370946 0.76 EPHX2 (0.38) KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL370511 0.75 APAF1 (0.38) KMT2AMEN1ALDH1A1
SCHEMBL369804 0.73 MGAM (0.47) GPR84KMT2AMEN1
SCHEMBL370222 0.72 GPR84 (0.41) GPR84KMT2AMEN1ALDH1A1
SCHEMBL370019 0.71 FFAR2 (0.42) ALDH1A1

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 GPR84 51/4885KMT2A 3981/4885MEN1 1315/4885

“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.