SCHEMBL6608879

SCHEMBL6608879

[CH2]CCOc1cc(OC)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
APLNR P35414 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.43
ADRA1A P35348 2/20 0.43
NFE2L2 Q16236 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3165577 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL18784001 0.83 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL17131593 0.83 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL95596 0.82 S1PR4 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4313349 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1545424 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL6601741 0.80 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2064577 0.80 GAA (0.54) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL12888557 0.80 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL12093645 0.79 CA12 (0.68) CA12CA1CA2CA7CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 CA12 4881/4885CA1 4824/4885CA2 4684/4885

“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.