SCHEMBL363078

SCHEMBL363078

Cc1cc(C(CC(c2cccc(CCCO)c2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.61
▸ NR3C2 P08235 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ CTSA P10619 5/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30

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
SCHEMBL1390096 1.00 GPBAR1 (0.61) GPBAR1NR3C2LMNATAAR1CYP4F2
SCHEMBL10241019 1.00 GPBAR1 (0.61) GPBAR1NR3C2LMNATAAR1CYP4F2
SCHEMBL1389735 0.90 GPBAR1 (0.68) GPBAR1NR3C2LMNATAAR1CTSA
SCHEMBL10240987 0.90 GPBAR1 (0.68) GPBAR1NR3C2LMNATAAR1CTSA
SCHEMBL363554 0.90 GPBAR1 (0.68) GPBAR1NR3C2LMNATAAR1CTSA
SCHEMBL10280941 0.90 GPBAR1 (0.65) GPBAR1NR3C2LMNATAAR1CTSA
SCHEMBL362024 0.87 GPBAR1 (0.48) GPBAR1NR3C2LMNATAAR1CYP4F2
SCHEMBL1389746 0.86 GPBAR1 (0.78) GPBAR1NR3C2CTSACYP19A1
SCHEMBL1389747 0.86 GPBAR1 (0.78) GPBAR1NR3C2CTSACYP19A1
SCHEMBL362360 0.86 GPBAR1 (0.78) GPBAR1NR3C2CTSACYP19A1

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 8 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 claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO claimed
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 1/4885NR3C2 232/4885LMNA 2651/4885

“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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