SCHEMBL3145033

SCHEMBL3145033

COCc1ccc2ccc(C(=O)OC)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.49
PTPN11 Q06124 1/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
CYP4A11 Q02928 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL16485169 0.95 PTPN11 (0.53) LCKLOXL2PTPN11TP53LMNA
SCHEMBL3149487 0.85 CYP4A11 (0.50) LCKLOXL2PTPN11TP53CA1
SCHEMBL19829368 0.85 PTPN11 (0.47) LCKLOXL2PTPN11TP53CA1
SCHEMBL709231 0.84 LCK (0.62) LCKPTPN11TP53LMNACA1
SCHEMBL9939493 0.83 CYP11B1 (0.49) LOXL2TP53CA1CA2CA12
SCHEMBL20612436 0.83 PTPN11 (0.50) LCKLOXL2PTPN11TP53CA1
SCHEMBL13681261 0.83 PTPN11 (0.50) LCKLOXL2PTPN11TP53CA1
SCHEMBL12015399 0.81 PTPN11 (0.55) LCKLOXL2PTPN11CA1CA2
SCHEMBL10989390 0.81 PTPN11 (0.49) LCKLOXL2PTPN11CA1CA2
SCHEMBL2607023 0.81 LOXL2 (0.66) LOXL2TP53LMNACA1CA2

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 3 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
CN-101595091-A 1-naphthyl alkylpiperidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2009-12-02 CN disclosed
EP-2098509-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2009-09-09 EP 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 LCK 3951/4885LOXL2 3539/4885PTPN11 840/4885

“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.