SCHEMBL3145017

SCHEMBL3145017

CC(C)(C)[Si](C)(C)Oc1ccc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA9 Q16790 5/20 0.51
CA12 O43570 4/20 0.51
HSD11B1 P28845 1/20 0.47
CA2 P00918 2/20 0.41
PREP P48147 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR1 P03372 1/20 0.36
ATM Q13315 1/20 0.36
ESR2 Q92731 1/20 0.36
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL598333 0.83 CA1 (0.50) CA1CA9HSD11B1CA2MEN1
SCHEMBL13933202 0.79 CA1 (0.49) CA1CA9HSD11B1CA2MEN1
SCHEMBL4056753 0.79 CA1 (0.51) CA1CA9HSD11B1CA2DRD2
SCHEMBL7438888 0.79 PREP (0.43) CA1CA9CA12HSD11B1CA2
SCHEMBL7943234 0.79 HSD11B1 (0.39) CA1CA9CA12HSD11B1CA2
SCHEMBL18159331 0.79 HSD11B1 (0.47) CA1CA9HSD11B1CA2MEN1
SCHEMBL1179389 0.79 L3MBTL1 (0.51) CA1CA9HSD11B1CA2MEN1
SCHEMBL30064871 0.78 HSD11B1 (0.39) CA1CA9CA12HSD11B1CA2
SCHEMBL19616849 0.78 HSD11B1 (0.39) CA1CA9CA12HSD11B1CA2
SCHEMBL1882570 0.77 CA12 (0.61) CA1CA9CA12PREPL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2010-04-01 US disclosed
EP-2098509-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2009-09-09 EP disclosed
EP-0579731-A1 DISUBSTITUTED NAPHTHALENES SMITHKLINE BEECHAM CORPORATION (US) 1994-01-26 EP disclosed
EP-0579731-A4 DISUBSTITUTED NAPHTHALENES. SMITHKLINE BEECHAM CORP (US) 1993-12-07 EP disclosed
WO-1992017172-A1 DISUBSTITUTED NAPHTHALENES SMITHKLINE BEECHAM CORPORATION (US) 1992-10-15 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-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE MCHR1, MCHR2, MC5R CA1 4180/4885CA9 4234/4885CA12 4176/4885

“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.