SCHEMBL3144041

SCHEMBL3144041

COCCOCc1ccc2ccc(C=O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
FDPS P14324 1/20 0.39
CYP2A6 P11509 1/20 0.38
PTGER4 P35408 1/20 0.37
ALDH1A1 P00352 8/20 0.37
AOX1 Q06278 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 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
SCHEMBL3139624 0.86 RAB9A (0.54) RAB9AFDPSCYP2A6ALDH1A1AOX1
SCHEMBL3136365 0.83 RAB9A (0.51) RAB9AFDPSCYP2A6ALDH1A1AOX1
SCHEMBL4064508 0.82 ALDH1A1 (0.45) RAB9AFDPSCYP2A6PTGER4ALDH1A1
SCHEMBL3153633 0.78 GBA1 (0.38) RAB9ANPC1LMNAPTPN1RAD52
SCHEMBL25473421 0.78 CYP1A2 (0.50) RAB9ACYP2A6TDP1CYP1A2
SCHEMBL8370814 0.76 CYP1A2 (0.44) RAB9ACYP2A6TDP1CYP1A2PTPN1
SCHEMBL3135691 0.75 CYP2A6 (0.47) RAB9ACYP2A6ALDH1A1NPC1MAPT
SCHEMBL7181020 0.75 RAB9A (0.49) RAB9AFDPSCYP2A6ALDH1A1AOX1
SCHEMBL29195519 0.74 CYP2A6 (0.53) RAB9ACYP2A6ALDH1A1AOX1TSHR
SCHEMBL3144937 0.73 L3MBTL1 (0.34) CYP2D6PTPN1RAD52PAX8

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 335/4885FDPS 4356/4885CYP2A6 3059/4885

“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.