SCHEMBL370511

SCHEMBL370511

Cn1cc(C(=O)CC(c2ccccc2Cl)C2CCCC2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.38
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 3/20 0.36
BRD4 O60885 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.34
OPRL1 P41146 1/20 0.34
MEN1 O00255 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL369354 0.86 FFAR1 (0.33) APAF1FFAR1BRD4PTGS2HPGD
SCHEMBL369353 0.86 FFAR1 (0.33) APAF1FFAR1BRD4PTGS2HPGD
SCHEMBL370946 0.78 EPHX2 (0.38) ALDH1A1KMT2AMEN1
SCHEMBL371102 0.78 ALDH1A1 (0.38) FFAR1ALDH1A1BRD4HPGDKMT2A
SCHEMBL1390355 0.77 MAPT (0.39) ALDH1A1BRD4HPGDKMT2AMEN1
SCHEMBL371171 0.77 MAP2K1 (0.37) APAF1ALDH1A1BRD4PTGS2HPGD
SCHEMBL10241079 0.77 FFAR1 (0.31) FFAR1
SCHEMBL370119 0.77 ALDH1A1 (0.38) APAF1FFAR1ALDH1A1HPGDKMT2A
Iodide SCHEMBL1389889 0.76 FFAR1 (0.31) FFAR1
Iodide SCHEMBL1389887 0.76 FFAR1 (0.31) FFAR1

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 APAF1 2922/4885FFAR1 14/4885ALDH1A1 132/4885

“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.