SCHEMBL1395269

SCHEMBL1395269

CCn1cc(C(=O)C(Cc2ccc(Br)cc2)c2cccc(C)c2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN1 P18031 4/20 0.36
LMNA P02545 4/20 0.36
HSP90AA1 P07900 1/20 0.35
NTSR1 P30989 1/20 0.35
PTPN2 P17706 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 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
SCHEMBL369940 0.80 LMNA (0.46) MAPTTP53PTPN1LMNAHSP90AA1
SCHEMBL369643 0.78 RAB9A (0.45) MAPTTP53LMNAMEN1ALDH1A1
SCHEMBL370420 0.75 PTGFR (0.47) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1395400 0.68 FAAH (0.45) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1395396 0.68 FAAH (0.45) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1395399 0.68 FFAR1 (0.35) MAPTTP53PTPN1LMNAALDH1A1
SCHEMBL1390394 0.67 LMNA (0.34) MAPTTP53CYP1A2CYP3A4CYP2D6
SCHEMBL368441 0.66 PTPN1 (0.50) PTPN1HSP90AA1NTSR1PTPN2MEN1
SCHEMBL15949124 0.65 GPBAR1 (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29608984 0.62 EPHX1 (0.71) MAPTTP53CYP2C9CYP2C19MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4149/4885TP53 4233/4885CYP1A2 369/4885

“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.