SCHEMBL1389628

SCHEMBL1389628

Cc1cc(/C(CC(c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)c2ccccc2C)=N\O)ccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.78
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CTSA P10619 3/20 0.37
NR3C2 P08235 1/20 0.36
RARB P10826 3/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
WNT3A P56704 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKACA P17612 1/20 0.34
MAPK1 P28482 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
SCHEMBL362845 1.00 GPBAR1 (0.78) GPBAR1S1PR1S1PR3CTSANR3C2
SCHEMBL363008 1.00 GPBAR1 (0.78) GPBAR1S1PR1S1PR3CTSANR3C2
SCHEMBL364591 0.93 GPBAR1 (0.68) GPBAR1S1PR1S1PR3CTSANR3C2
SCHEMBL1389580 0.93 GPBAR1 (0.68) GPBAR1S1PR1S1PR3CTSANR3C2
SCHEMBL1389773 0.93 GPBAR1 (0.78) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL10241025 0.93 GPBAR1 (0.78) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL361840 0.93 GPBAR1 (0.78) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL10240974 0.90 GPBAR1 (0.80) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL1389556 0.90 GPBAR1 (0.80) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL364162 0.90 GPBAR1 (0.80) GPBAR1CTSANR3C2PSEN1PSEN2

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 4 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-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-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 1/4885S1PR1 461/4885S1PR3 668/4885

“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.