SCHEMBL580281

SCHEMBL580281

COc1ccc(OC)c(OCCCCCCCCCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TUBB1 Q9H4B7 2/20 0.51
TLR8 Q9NR97 1/20 0.49
PRSS1 P07477 3/20 0.49
SMPD1 P17405 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.48
PNLIP P16233 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL580731 1.00 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL580227 1.00 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL580280 1.00 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL12888557 0.93 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL1008366 0.88 PNLIP (0.55) CA12CA1CA2CA7CA9
SCHEMBL4313349 0.88 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL18784001 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL1545424 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4392307 0.81 CA2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2097976 0.80 CA12 (0.65) 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-2418191-A1 Long-chain trimethoxyphenylalkanol derivatives, and pharmaceuticals comprising the same Meiji Co., Ltd. (JP) 2012-02-15 EP disclosed
US-7893304-B2 Hydroquinone long-chain derivatives and/or phenoxy long-chain derivatives, and pharmaceuticals comprising the same MEIJI DAIRIES CORPORATION (JP) 2011-02-22 US disclosed
US-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 US disclosed
EP-1854777-A1 HYDROQUINONE LONG-CHAIN DERIVATIVE AND/OR PHENOXY LONG-CHAIN DERIVATIVE, AND PHARMACEUTICAL PREPARATION COMPRISING THE SAME Meiji Dairies Corporation (JP) 2007-11-14 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-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same NQO1, NDUFA10, UQCRC1 CA12 3781/4885CA1 2203/4885CA2 2964/4885

“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.