SCHEMBL7920655

SCHEMBL7920655

COCOc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
EGFR P00533 3/20 0.44
ABL1 P00519 1/20 0.43
PTGER4 P35408 1/20 0.42
MCHR1 Q99705 1/20 0.42
PPARD Q03181 1/20 0.42
CTSA P10619 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
GSK3B P49841 1/20 0.41
KIF11 P52732 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7922447 0.84 TDP1 (0.51) EGFRTDP1MAPTKDM4E
SCHEMBL1391035 0.84 ACACB (0.46) MRGPRX4ABL1MCHR1PPARDAURKA
SCHEMBL7923604 0.83 CHEK1 (0.47) EGFRPTGER4TDP1MAPTKDM4E
SCHEMBL7928723 0.82 PLA2G2A (0.50) EGFRTDP1MAPTKDM4E
SCHEMBL7920254 0.82 PLA2G2A (0.51) EGFRTDP1MAPTKDM4E
SCHEMBL13581142 0.80 DHODH (0.49) MRGPRX4ABL1AKR1C2AKR1C1PPIB
SCHEMBL12432411 0.80 CA12 (0.53) MRGPRX4EGFRABL1AKR1C2AKR1C1
SCHEMBL10280565 0.79 MCL1 (0.54) EGFRPTGER4
SCHEMBL4145981 0.79 TDP1 (0.49) EGFRABL1AURKAGSK3BTDP1
SCHEMBL31042558 0.79 PPIB (0.57) MRGPRX4ABL1MCHR1PPARDCTSA

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-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB MRGPRX4 4485/4885EGFR 4156/4885ABL1 3229/4885

“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.