SCHEMBL10241023

SCHEMBL10241023

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.67
▸ FFAR1 O14842 5/20 0.39
▸ NR3C2 P08235 1/20 0.35
▸ CTSA P10619 6/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ GPR65 Q8IYL9 1/20 0.34
▸ DHFR P00374 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
SCHEMBL362814 1.00 GPBAR1 (0.67) GPBAR1FFAR1NR3C2CTSAFFAR4
SCHEMBL362813 1.00 GPBAR1 (0.67) GPBAR1FFAR1NR3C2CTSAFFAR4
SCHEMBL363911 0.89 GPBAR1 (0.52) GPBAR1FFAR1NR3C2CTSAFFAR4
SCHEMBL1389611 0.88 GPBAR1 (0.67) GPBAR1FFAR1NR3C2CTSA
SCHEMBL10240980 0.88 GPBAR1 (0.67) GPBAR1FFAR1NR3C2CTSA
SCHEMBL1389609 0.88 GPBAR1 (0.67) GPBAR1FFAR1NR3C2CTSA
SCHEMBL10280514 0.84 GPBAR1 (0.73) GPBAR1FFAR1NR3C2CTSAFFAR4
SCHEMBL368289 0.83 GPBAR1 (0.71) GPBAR1NR3C2CTSA
SCHEMBL364229 0.83 GPBAR1 (0.71) GPBAR1NR3C2CTSA
SCHEMBL368291 0.83 GPBAR1 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US 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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