SCHEMBL362321

SCHEMBL362321

Cc1cc(C(CC(c2ccc(C=CC(=O)O)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.72
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ ESR1 P03372 4/20 0.34
▸ PGR P06401 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CTSA P10619 3/20 0.34
▸ P4HTM Q9NXG6 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 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
SCHEMBL1389577 1.00 GPBAR1 (0.72) GPBAR1RECQLKDM4EMAPK1NR3C2
SCHEMBL1390033 0.88 GPBAR1 (0.55) GPBAR1RECQLKDM4EMAPK1NR3C2
SCHEMBL1390034 0.88 GPBAR1 (0.55) GPBAR1RECQLKDM4EMAPK1NR3C2
SCHEMBL10240982 0.86 GPBAR1 (0.94) GPBAR1NR3C2CTSA
SCHEMBL361887 0.86 GPBAR1 (0.94) GPBAR1NR3C2CTSA
SCHEMBL364915 0.86 GPBAR1 (0.94) GPBAR1NR3C2CTSA
SCHEMBL363423 0.86 GPBAR1 (0.94) GPBAR1NR3C2CTSA
SCHEMBL1389693 0.86 GPBAR1 (0.94) GPBAR1NR3C2CTSA
SCHEMBL1389747 0.86 GPBAR1 (0.78) GPBAR1NR3C2CTSA
SCHEMBL1389749 0.86 GPBAR1 (0.78) 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 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 1/4885RECQL 3299/4885KDM4E 4298/4885

“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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