SCHEMBL580254

SCHEMBL580254

COc1cc(OC)c(OC)cc1CCCCCCCCCCCCCCCO

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.46
ALOX5 P09917 3/20 0.44
PTGS2 P35354 3/20 0.44
TNKS2 Q9H2K2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HMGCR P04035 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL580817 1.00 HTR2A (0.49) HTR2ACYP3A4CYP19A1ALOX5PTGS2
SCHEMBL580350 1.00 HTR2A (0.49) HTR2ACYP3A4CYP19A1ALOX5PTGS2
SCHEMBL581243 1.00 HTR2A (0.49) HTR2ACYP3A4CYP19A1ALOX5PTGS2
SCHEMBL580783 1.00 HTR2A (0.49) HTR2ACYP3A4CYP19A1ALOX5PTGS2
SCHEMBL7090134 0.92 TNKS2 (0.50) HTR2ACYP3A4CYP19A1TNKS2TAAR1
SCHEMBL24783645 0.85 TRAP1 (0.56) HTR2ACYP3A4ALOX5PTGS2TNKS2
SCHEMBL30859419 0.85 TRAP1 (0.56) HTR2ACYP3A4ALOX5PTGS2TNKS2
SCHEMBL14894825 0.85 TRAP1 (0.56) HTR2ACYP3A4ALOX5PTGS2TNKS2
SCHEMBL24783634 0.85 TRAP1 (0.56) HTR2ACYP3A4ALOX5PTGS2TNKS2
SCHEMBL9509098 0.84 TAAR1 (0.45) HTR2ACYP3A4ALOX5PTGS2TNKS2

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 HTR2A 337/4885CYP3A4 1584/4885CYP19A1 713/4885

“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.