SCHEMBL10240982

SCHEMBL10240982

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

nearest known ligand 0.94

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.94
NR3C2 P08235 1/20 0.40
CTSA P10619 7/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL361887 1.00 GPBAR1 (0.94) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL363423 1.00 GPBAR1 (0.94) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL1389693 1.00 GPBAR1 (0.94) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL364915 1.00 GPBAR1 (0.94) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL364261 0.97 GPBAR1 (1.00) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL1389585 0.97 GPBAR1 (1.00) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL364196 0.97 GPBAR1 (1.00) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL364009 0.97 GPBAR1 (1.00) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL10240955 0.97 GPBAR1 (1.00) GPBAR1NR3C2CTSARXRARXRB
SCHEMBL362606 0.97 GPBAR1 (1.00) GPBAR1NR3C2CTSARXRARXRB

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 6 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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
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 232/4885CTSA 3225/4885

“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.