SCHEMBL363572

SCHEMBL363572

Cc1cc(C(CC(c2ccc(-c3cccc(C(=O)O)c3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.86
CTSA P10619 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
KMO O15229 2/20 0.38
WNT3A P56704 2/20 0.38
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL10240962 1.00 GPBAR1 (0.86) GPBAR1CTSAMRGPRX4PSEN1PSEN2
SCHEMBL1389562 1.00 GPBAR1 (0.86) GPBAR1CTSAMRGPRX4PSEN1PSEN2
SCHEMBL1390011 0.94 GPBAR1 (0.75) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL362979 0.94 GPBAR1 (0.75) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL10241009 0.94 GPBAR1 (0.75) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL364261 0.92 GPBAR1 (1.00) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL10240955 0.92 GPBAR1 (1.00) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL364009 0.92 GPBAR1 (1.00) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389585 0.92 GPBAR1 (1.00) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL362606 0.92 GPBAR1 (1.00) GPBAR1CTSAPSEN1PSEN2APH1B

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 1/4885CTSA 3225/4885MRGPRX4 133/4885

“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.