SCHEMBL346257

SCHEMBL346257

CCCC(C)/C=C/CCCCCCCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ASAH2 Q9NR71 1/20 0.47
TP53 P04637 1/20 0.46
CETP P11597 3/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 1/20 0.44
ALOX5 P09917 2/20 0.44
OXER1 Q8TDS5 1/20 0.44
DGKA P23743 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
SCHEMBL346258 1.00 EPHX2 (0.55) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL9004458 0.89 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL9387096 0.89 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL9004459 0.89 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL9387099 0.89 ALDH1A1 (0.53) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL1894957 0.87 TSHR (0.50) ALDH1A1LMNAMEN1KMT2A
SCHEMBL29536611 0.82 PPARG (0.58) EPHX2ALDH1A1ASAH2TP53CETP
SCHEMBL5050377 0.82 ALDH1A1 (0.55) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL5050376 0.82 ALDH1A1 (0.55) EPHX2ALDH1A1LMNAASAH2TP53
SCHEMBL23918136 0.80 EPHX2 (0.73) EPHX2ALDH1A1LMNATP53MEN1

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 8 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
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
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
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-20120014901-A1 Rinse-Off Conditioning Composition Comprising a Near-Terminal Branched Alcohol THE PROCTER & GAMBLE COMPANY 2012-01-19 US 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-20120012130-A1 Method of Cleansing Hair POLR1C, SHH, LATS2 EPHX2 1821/4885ALDH1A1 513/4885LMNA 2064/4885
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.