SCHEMBL581027

SCHEMBL581027

BrCCCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.54
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GBA1 P04062 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
EPHX2 P34913 2/20 0.43
NAAA Q02083 3/20 0.42
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.40
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL879887 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL1309167 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL517888 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL31490075 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL7564811 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL580258 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL850609 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL4229986 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL5619569 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL5857276 0.98 L3MBTL1 (0.53) L3MBTL1TDP1TSHRHRH4HRH3

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 11 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-20110301370-A1 METHOD FOR PREPARING OREGANIC ACID CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2011-12-08 US disclosed
CN-102066309-A Method for preparing oreganic acid CONSEJO SUPERIOR INVESTIGACION 2011-05-18 CN disclosed
EP-2287146-A1 METHOD FOR PREPARING OREGANIC ACID Consejo Superior de Investigaciones Cientificas (ES) 2011-02-23 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
US-5750213-A MOLECULAR ORIENTATION SHARP KABUSHIKI KAISHA (JP) 1998-05-12 US disclosed
US-5709911-A Polymerizable compound and liquid crystal display device using the same SHARP KABUSHIKI KAISHA (JP) 1998-01-20 US disclosed
US-4618627-A ALLERGIES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0125919-A2 Catechol derivatives, their production and intermediates therefor, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-11-21 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 (2 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 L3MBTL1 1504/4885TDP1 2858/4885TSHR 3205/4885
US-20110301370-A1 METHOD FOR PREPARING OREGANIC ACID OSGEP, OSBP, AOX1 L3MBTL1 4761/4885TDP1 3670/4885TSHR 4547/4885

“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.