SCHEMBL363869

SCHEMBL363869

Cc1cc(C(=O)C[C@H](c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.45
PROKR1 Q8TCW9 3/20 0.42
CNR1 P21554 2/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
PRCP P42785 1/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL368968 1.00 WNT3A (0.45) WNT3APROKR1CNR1GPBAR1PRCP
SCHEMBL363221 0.91 GPBAR1 (0.52) WNT3APROKR1CNR1GPBAR1PRCP
SCHEMBL369779 0.91 GPBAR1 (0.52) WNT3APROKR1CNR1GPBAR1PRCP
SCHEMBL369777 0.91 GPBAR1 (0.52) WNT3APROKR1CNR1GPBAR1PRCP
SCHEMBL369778 0.91 GPBAR1 (0.52) WNT3APROKR1CNR1GPBAR1PRCP
SCHEMBL368575 0.90 GPBAR1 (0.51) WNT3APROKR1GPBAR1PRCPTP53
SCHEMBL368574 0.90 GPBAR1 (0.51) WNT3APROKR1GPBAR1PRCPTP53
SCHEMBL1390428 0.89 PROKR1 (0.46) WNT3APROKR1GPBAR1PRCP
SCHEMBL365449 0.89 PROKR1 (0.46) WNT3APROKR1GPBAR1PRCP
SCHEMBL27924134 0.88 PROKR1 (0.41) WNT3APROKR1GPBAR1PRCP

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 5 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
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 WNT3A 4280/4885PROKR1 242/4885CNR1 56/4885

“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.