SCHEMBL3136365

SCHEMBL3136365

CCOCc1ccc2ccc(C=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
TACR2 P21452 1/20 0.43
ALDH1A1 P00352 7/20 0.41
CYP2A6 P11509 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
AOX1 Q06278 1/20 0.37
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
FDPS P14324 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3139624 0.83 RAB9A (0.54) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL3144041 0.83 RAB9A (0.48) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL29195519 0.81 CYP2A6 (0.53) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL4945584 0.81 ALDH1A1 (0.49) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL7181020 0.78 RAB9A (0.49) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL7672328 0.78 MAOA (0.53) RAB9ATACR2ALDH1A1SMN1; SMN2MAOA
SCHEMBL27763415 0.76 CA12 (0.39) CYP2A6MAOBCYP1A2
SCHEMBL4177442 0.75 CYP1A2 (0.61) RAB9ACYP2A6CYP1A2
SCHEMBL4367783 0.75 CYP2A6 (0.55) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL7185780 0.75 RAB9A (0.46) RAB9ATACR2ALDH1A1CYP2A6SMN1; SMN2

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 RAB9A 335/4885TACR2 229/4885ALDH1A1 2065/4885

“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.