SCHEMBL3149031

SCHEMBL3149031

COC(OC)c1ccc2ccc(CO)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA4 P22748 1/20 0.37
CYP2D6 P10635 6/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
KCNH2 Q12809 6/20 0.36
CYP3A4 P08684 4/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL2938648 0.79 LTA4H (0.39) CA12CA2CA6CA5ACA7
SCHEMBL10309472 0.78 AKR1C3 (0.49) ABCB11AKR1C3AKR1C2CA12CA2
SCHEMBL3039135 0.77 CA2 (0.52) CA12CA2CA3CA6CA5A
SCHEMBL3144937 0.76 L3MBTL1 (0.34) AKR1C3AKR1C2CYP2D6SLC6A2SLC6A4
SCHEMBL3135614 0.74 LMNA (0.46) AKR1C3AKR1C2CA12CA2CA3
SCHEMBL4411103 0.74 UGT2B7 (0.55) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15118332 0.73 PTGS1 (0.59) ABCB11AKR1C3AKR1C2SLC6A2SLC6A3
SCHEMBL12118745 0.73 UGT2B7 (0.60) ABCB11AKR1C3AKR1C2CA12CA2
SCHEMBL8582858 0.73 CYP1A2 (0.55) ABCB11AKR1C3AKR1C2LMNAMAPT
SCHEMBL19342797 0.71 AKR1C3 (0.46) ABCB11AKR1C3AKR1C2CA12CA2

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 ABCB11 312/4885AKR1C3 4126/4885AKR1C2 3638/4885

“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.