SCHEMBL3551003

SCHEMBL3551003

Cc1ccc(C)n1-c1cccc(C(C)(C)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
KMT2A Q03164 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
NR4A1 P22736 3/20 0.50
MYC P01106 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
HSPA1A P0DMV8 1/20 0.50
GAA P10253 1/20 0.50
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6315486 0.79 NOTUM (0.59) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL31125247 0.76 MAPT (0.48) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL545433 0.75 AR (0.45) MEN1KMT2ANR4A1MYCNOTUM
SCHEMBL304190 0.75 ESR1 (0.50) ALDH1A1MAPTALOX15KMT2AGAA
SCHEMBL14402131 0.72 ALDH1A1 (0.59) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL29665057 0.72 ALDH1A1 (0.59) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL2538414 0.71 ACHE (0.50) ALDH1A1CYP2C9LMNA
SCHEMBL14036344 0.71 ALDH1A1 (0.63) KDM4EALDH1A1MEN1MAPTALOX15
SCHEMBL4251026 0.71 ESR1 (0.52) ALDH1A1MEN1ALOX15KMT2ATDP1
SCHEMBL20327122 0.69 OPRD1 (0.33) KDM4EMEN1MAPTKMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 KDM4E 1705/4885ALDH1A1 2863/4885MEN1 2134/4885

“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.