SCHEMBL984643

SCHEMBL984643

Cc1c[c]ccc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
ERBB3 P21860 2/20 0.38
ERBB4 Q15303 2/20 0.38
BRAF P15056 4/20 0.37
KDR P35968 1/20 0.37
AR P10275 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 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
SCHEMBL5583617 0.83 TEAD1 (0.46) F10ARMAPTNPSR1L3MBTL1
SCHEMBL985888 0.83 EGFR (0.44) F10EGFRERBB2ERBB3ERBB4
SCHEMBL2263392 0.82 MAOB (0.41) ARMAPTPPARG
SCHEMBL2264018 0.82 KDM4E (0.44) ARMAPTNPSR1L3MBTL1
SCHEMBL1068712 0.78 SCN5A (0.33)
SCHEMBL2261309 0.78 SLC6A4 (0.48) ARL3MBTL1PPARGPPARDSLC6A2
SCHEMBL29109048 0.78 CYP3A4 (0.40) F10KDRARMAPTL3MBTL1
SCHEMBL922225 0.77 CETP (0.39) F10MAPTCETP
SCHEMBL921934 0.77 CETP (0.43) F10MAPTCETP
SCHEMBL5583829 0.76 LTA4H (0.41) L3MBTL1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2359825-A2 Combination drug Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20110003805-A1 CONCOMITANT DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
EP-2255830-A1 CONCOMITANT DRUG Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7825127-B2 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2010-11-02 US disclosed
US-20100008912-A1 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-14 US disclosed
EP-2063895-A2 COMBINATION DRUG Takeda Pharmaceutical Company Limited (JP) 2009-06-03 EP disclosed
US-20080214584-A1 Method for treating cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-04 US disclosed
WO-2008044782-A2 COMBINATION DRUG TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-17 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 (3 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-20100008912-A1 COMBINATION DRUG ERBB2, ERBB3, ERBB4 F10 3564/4885EGFR 5/4885ERBB2 1/4885
US-20080214584-A1 Method for treating cancer ERBB2, EGFR, ERBB3 F10 3991/4885EGFR 2/4885ERBB2 1/4885
US-20110003805-A1 CONCOMITANT DRUG ERBB2, MTOR, ERBB4 F10 4615/4885EGFR 6/4885ERBB2 1/4885

“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.