SCHEMBL369570

SCHEMBL369570

COc1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccccc2C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MME P08473 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GNRHR P30968 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1390148 0.90 FFAR1 (0.37) CTSAKDM4ECYP3A4NPSR1MEN1
SCHEMBL1390236 0.88 SRD5A2 (0.36) CTSACYP3A4POLB
SCHEMBL1390202 0.88 KMT2A (0.35) CTSAMMECYP3A4BRD4MEN1
SCHEMBL1390374 0.87 PPARG (0.42) POLBNPC1RAB9A
SCHEMBL368298 0.87 CTSA (0.36) CTSACYP3A4HTTBRD4MEN1
SCHEMBL1390300 0.87 PPARG (0.35) CTSAKDM4EPOLBMEN1KMT2A
SCHEMBL1390169 0.87 HPGD (0.40) CTSAL3MBTL1KDM4ECYP3A4POLB
SCHEMBL371379 0.86 GPBAR1 (0.39) CTSACYP3A4POLBBRD4NPC1
SCHEMBL371336 0.82 CTSA (0.44) CTSAL3MBTL1MMECYP3A4POLB
SCHEMBL10290831 0.81 FFAR1 (0.36) CTSAKDM4ECYP3A4MEN1KMT2A

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 CTSA 3225/4885L3MBTL1 2596/4885KDM4E 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.