SCHEMBL3149487

SCHEMBL3149487

COC(=O)c1ccc2ccc(CO)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.50
CA12 O43570 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LCK P06239 1/20 0.50
PTPN11 Q06124 1/20 0.49
CYP4F2 P78329 3/20 0.49
CA1 P00915 1/20 0.47
XDH P47989 1/20 0.47
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL5776604 0.95 PTPN11 (0.54) CYP4A11CA12CA2CA7CA9
SCHEMBL4940300 0.88 KDM4E (0.55) CA12CA2CA7CA9CA14
SCHEMBL709231 0.86 LCK (0.62) CA12CA2CA7CA9CA14
SCHEMBL3145033 0.85 LCK (0.49) CYP4A11CA12CA2CA7CA9
SCHEMBL17585028 0.83 NPC1 (0.49) CYP4A11CA12CA2CA7CA9
SCHEMBL12015399 0.83 PTPN11 (0.55) CYP4A11CA12CA2CA7CA9
SCHEMBL9939192 0.83 EGFR (0.51) CYP4A11CA12CA2CA7CA9
SCHEMBL19829368 0.80 PTPN11 (0.47) CYP4A11CA12CA2CA7CA9
SCHEMBL30917343 0.80 PTPN11 (0.53) CYP4A11CA12CA2CA7CA9
SCHEMBL7440151 0.80 PTPN11 (0.53) CYP4A11CA12CA2CA7CA9

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 11 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
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 CYP4A11 1281/4885CA12 3106/4885CA2 2790/4885
US-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE MCHR1, MCHR2, MC5R CYP4A11 784/4885CA12 4176/4885CA2 3530/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 CYP4A11 1574/4885CA12 4368/4885CA2 2218/4885

“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.