SCHEMBL371379

SCHEMBL371379

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.39
MAP2K1 Q02750 3/20 0.36
MAP2K2 P36507 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
CTSA P10619 5/20 0.35
PTGFR P43088 3/20 0.35
CYP3A4 P08684 1/20 0.35
CREBBP Q92793 1/20 0.34
TP53 P04637 1/20 0.34
FFAR1 O14842 1/20 0.33
PDPK1 O15530 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL368298 0.89 CTSA (0.36) GPBAR1BRD4CTSACYP3A4CREBBP
SCHEMBL369995 0.87 GPBAR1 (0.50) GPBAR1MAP2K1MAP2K2BRD4BRD2
SCHEMBL369994 0.87 GPBAR1 (0.50) GPBAR1MAP2K1MAP2K2BRD4BRD2
SCHEMBL369570 0.86 CTSA (0.42) BRD4CTSACYP3A4TP53POLB
SCHEMBL369139 0.84 GPBAR1 (0.54) GPBAR1BRD4CYP3A4NPC1RAB9A
SCHEMBL369140 0.84 GPBAR1 (0.54) GPBAR1BRD4CYP3A4NPC1RAB9A
SCHEMBL369733 0.84 GPBAR1 (0.54) GPBAR1BRD4CYP3A4NPC1RAB9A
SCHEMBL1390148 0.84 FFAR1 (0.37) CTSACYP3A4TP53FFAR1
SCHEMBL1390236 0.82 SRD5A2 (0.36) CTSACYP3A4CREBBPPOLB
SCHEMBL1390374 0.82 PPARG (0.42) CREBBPPOLBNPC1RAB9A

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 3 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-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 1/4885MAP2K1 4690/4885MAP2K2 4635/4885

“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.