SCHEMBL363911

SCHEMBL363911

Cc1cc(C(=O)CC(c2ccc(C#CCCC(=O)O)cc2)c2ccccc2C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.52
▸ FFAR1 O14842 6/20 0.41
▸ NR3C2 P08235 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR3 P25089 1/20 0.36
▸ GPR183 P32249 1/20 0.36
▸ APLNR P35414 1/20 0.36
▸ GPR65 Q8IYL9 1/20 0.36
▸ CTSA P10619 6/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ DHFR P00374 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
SCHEMBL1390129 0.91 GPBAR1 (0.49) GPBAR1FFAR1NR3C2CTSA
SCHEMBL369800 0.89 GPBAR1 (0.54) GPBAR1FFAR1NR3C2CTSAMMP2
SCHEMBL10241023 0.89 GPBAR1 (0.67) GPBAR1FFAR1NR3C2FFAR4CHRM2
SCHEMBL362814 0.89 GPBAR1 (0.67) GPBAR1FFAR1NR3C2FFAR4CHRM2
SCHEMBL362813 0.89 GPBAR1 (0.67) GPBAR1FFAR1NR3C2FFAR4CHRM2
SCHEMBL370156 0.87 FFAR1 (0.45) GPBAR1FFAR1FFAR4MMP2MMP12
SCHEMBL1390364 0.85 GPBAR1 (0.54) GPBAR1FFAR1NR3C2CTSA
SCHEMBL370328 0.84 GPBAR1 (0.56) GPBAR1FFAR1NR3C2CTSA
SCHEMBL370327 0.84 GPBAR1 (0.56) GPBAR1FFAR1NR3C2CTSA
SCHEMBL1390446 0.84 GPBAR1 (0.62) GPBAR1NR3C2CTSA

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 GPBAR1 1/4885FFAR1 14/4885NR3C2 232/4885

“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.

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