SCHEMBL345021

SCHEMBL345021

CCC(C)CC=CCCCCCCCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CNR2 P34972 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ OXER1 Q8TDS5 1/20 0.44
▸ DGKA P23743 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKCA P17252 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
SCHEMBL345020 1.00 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL5479599 1.00 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL5479597 1.00 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL10414866 0.88 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL22361936 0.88 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL7528574 0.88 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL10414867 0.88 EPHX2 (0.55) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL5807849 0.88 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL5807847 0.88 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACNR2TSHR
SCHEMBL13305486 0.87 TSHR (0.41) EPHX2ALDH1A1LMNATSHRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228252-B Comprise the composition and method of making the same of near-end hyperbranched compounds THE PROCTER & GAMBLE CO. (US) 2016-01-20 — — CN disclosed
CN-103228253-B A personal care composition comprising a near-erminal branched compound PROCTER & GAMBLE 2015-05-06 — — CN disclosed
US-8883698-B2 Compositions comprising a near terminal-branched compound and methods of making the same THE PROCTER & GAMBLE CO (US) 2014-11-11 — — US disclosed
US-8765651-B2 Method of cleansing hair THE PROCTER & GAMBLE COMPANY (US) 2014-07-01 — — US disclosed
CN-103687583-A Method of cleansing hair PROCTER & GAMBLE 2014-03-26 — — CN disclosed
US-8603449-B2 Rinse-off conditioning composition comprising a near-terminal branched alcohol THE PROCTER & GAMBLE COMPANY (US) 2013-12-10 — — US disclosed
CN-103228252-A Compositions comprising a near terminal-ranched compound and methods of making the same PROCTER & GAMBLE 2013-07-31 — — CN disclosed
CN-103228253-A A personal care composition comprising a near-erminal branched compound PROCTER & GAMBLE 2013-07-31 — — CN disclosed
EP-2593080-A2 METHOD OF CLEANSING HAIR The Procter and Gamble Company (US) 2013-05-22 — — EP disclosed
EP-2593073-A2 RINSE-OFF CONDITIONING COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED ALCOHOL The Procter and Gamble Company (US) 2013-05-22 — — EP disclosed
EP-2593075-A2 A PERSONAL CARE COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED COMPOUND The Procter and Gamble Company (US) 2013-05-22 — — EP disclosed
EP-2593074-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME The Procter and Gamble Company (US) 2013-05-22 — — EP disclosed
US-20130053300-A1 Compositions Comprising A Near Terminal-Branched Compound And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2013-02-28 — — US disclosed
US-20120012130-A1 Method of Cleansing Hair THE PROCTER & GAMBLE COMPANY 2012-01-19 — — US disclosed
US-20120014900-A1 Personal Care Composition Comprising a Near-Terminal Branched Compound THE PROCTER & GAMBLE COMPANY 2012-01-19 — — US disclosed
US-20120014901-A1 Rinse-Off Conditioning Composition Comprising a Near-Terminal Branched Alcohol THE PROCTER & GAMBLE COMPANY 2012-01-19 — — US disclosed
WO-2012009522-A2 RINSE-OFF CONDITIONING COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 — — WO disclosed
WO-2012009539-A2 METHOD OF CLEANSING HAIR THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 — — WO disclosed
WO-2012009523-A2 A PERSONAL CARE COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 — — WO disclosed
WO-2012009525-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 — — WO 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 (3 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-20120012130-A1 Method of Cleansing Hair POLR1C, SHH, LATS2 EPHX2 1821/4885ALDH1A1 513/4885LMNA 2064/4885
US-20120014900-A1 Personal Care Composition Comprising a Near-Terminal Branched Compound CUTA, KRT18, PARN EPHX2 1821/4885ALDH1A1 664/4885LMNA 826/4885
US-20120014901-A1 Rinse-Off Conditioning Composition Comprising a Near-Terminal Branched Alcohol ITGB7, ARG1, ITGB1 EPHX2 2531/4885ALDH1A1 894/4885LMNA 296/4885

“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.

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