SCHEMBL898823

SCHEMBL898823

C=CC(CC)(NC(=O)C(=C)CN1CCCC1=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
PIK3CD O00329 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.30

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
Hydrochloric Acid SCHEMBL466078 0.83 TSHR (0.38) TSHRHTTKMT2ALMNASMN1; SMN2
SCHEMBL3103825 0.82 TSHR (0.39) TSHRHTTKMT2ALMNASMN1; SMN2
SCHEMBL4372909 0.75 TSHR (0.51) TSHRHTTKMT2ALMNASMN1; SMN2
Ethylene SCHEMBL28313751 0.73 TSHR (0.50) TSHRHTTKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL868011 0.68 TSHR (0.41) TSHRHTTKMT2ALMNASMN1; SMN2
SCHEMBL8848376 0.67 GAA (0.43) TSHRHTTKMT2ALMNASMN1; SMN2
SCHEMBL11760214 0.67 TSHR (0.59) TSHRHTTKMT2ALMNASMN1; SMN2
Caprolactam SCHEMBL28605087 0.67 TSHR (0.40) TSHRHTTKMT2ALMNASMN1; SMN2
SCHEMBL28210831 0.67 TSHR (0.51) TSHRHTTKMT2ALMNAALDH1A1
SCHEMBL16527290 0.66 HTT (0.55) TSHRHTTKMT2ALMNASMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017011977-A1 COMPOSITION FOR TREATING KERATIN FIBERS L'OREAL (FR) 2017-01-26 WO claimed
EP-1066822-B1 Composition for treating dandruffs in hair and scalp based on an antidandruff agent and a hydroxy-acid OREAL (FR) 2004-10-06 EP claimed
WO-2017011977-A1 COMPOSITION FOR TREATING KERATIN FIBERS L'OREAL (FR) 2017-01-26 WO disclosed
US-20140096786-A1 HAIR TREATMENT METHOD L'OREAL (FR) 2014-04-10 US disclosed
WO-2013189037-A1 PEARLESCENT CONDITIONING COMPOSITION AND METHOD FOR PREPARING THE SAME L'OREAL (FR) 2013-12-27 WO disclosed
EP-2621465-A2 PROCESS FOR TREATING KERATIN FIBRES USING AT LEAST ONE SULFUREOUS REDUCING AGENT, AT LEAST ONE CATIONIC POLYMER AND AT LEAST ONE MERCAPTOSILOXANE L'Oréal (FR) 2013-08-07 EP disclosed
WO-2012042019-A2 PROCESS FOR TREATING KERATIN FIBRES USING AT LEAST ONE SULFUREOUS REDUCING AGENT, AT LEAST ONE CATIONIC POLYMER AND AT LEAST ONE MERCAPTOSILOXANE. L'OREAL (FR) 2012-04-05 WO disclosed
EP-2198929-A1 Hair dye or lightening composition comprising a fatty substance and a cationic polymer, and use thereof L'OREAL (FR) 2010-06-23 EP disclosed
US-20090130038-A1 COSMETIC COMPOSITIONS COMPRISING AT LEAST ONE CATIONIC POLYMER AND AT LEAST ONE ESTER OF A C8-C24 FATTY ACID AND OXYETHYLENATED SORBITAN COMPRISING 2 TO 10 OXYETHYLENE MOTIFS, AND COSMETIC TREATMENT METHODS EMPLOYING SAID COMPOSITIONS L'OREAL S.A. (FR) 2009-05-21 US disclosed
US-20080124295-A1 Process for elimination of the odor retained by keratinic materials in contact with water treated with a halogenated disinfectant L'OREAL S.A. (FR) 2008-05-29 US disclosed
US-20050129644-A1 Use of hydroxycarboxylic acids and salts thereof as complexing agents in reducing compositions for bleaching or permanently reshaping keratin fibres L'OREAL S.A. (FR) 2005-06-16 US disclosed
EP-1462089-A1 Use of hydroxycarboxylic acids and salts thereof as complexing agents in reducing compositions for bleaching or permanently deforming keratin fibers L'OREAL (FR) 2004-09-29 EP disclosed
EP-1353634-A2 COSMETIC COMPOSITIONS CONTAINING A FRUCTAN AND A CATIONIC POLYMER AND THEIR USES L'OREAL (FR) 2003-10-22 EP disclosed
EP-1353646-A2 COSMETIC DETERGENT COMPOSITIONS CONTAINING AN AMPHOTERIC POLYSACCHARIDE AND AN INSOLUBLE CONDITIONING AGENT, AND USE THEREOF L'OREAL (FR) 2003-10-22 EP disclosed
EP-1353632-A1 COMPOSITION CONTAINING AT LEAST ONE PARTICULAR SOLUBLE CONDITIONING AGENT AND AT LEAST ONE AMPHIPHILIC POLYMER L'OREAL (FR) 2003-10-22 EP disclosed
US-6514488-B1 Shampoo; at least one cationic polymer and at least one anionic blockpolycondensate containing at least one polyurethane and/or polyurea L'OREAL S.A. (FR) 2003-02-04 US disclosed
WO-2002055053-A2 COSMETIC DETERGENT COMPOSITIONS CONTAINING AN AMPHOTERIC POLYSACCHARIDE AND AN INSOLUBLE CONDITIONING AGENT, AND USE THEREOF OREAL (FR) 2002-07-18 WO disclosed
WO-2002055035-A1 COMPOSITION CONTAINING AT LEAST ONE PARTICULAR SOLUBLE CONDITIONING AGENT AND AT LEAST ONE AMPHIPHILIC POLYMER L'OREAL (FR) 2002-07-18 WO disclosed
WO-2002055036-A2 COSMETIC COMPOSITIONS CONTAINING A FRUCTAN AND A CATIONIC POLYMER AND THEIR USES OREAL (FR) 2002-07-18 WO disclosed
EP-1106167-A2 Dye compositions for keratin fibers comprising a nonionic compound L'OREAL (FR) 2001-06-13 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 (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-20050129644-A1 Use of hydroxycarboxylic acids and salts thereof as complexing agents in reducing compositions for bleaching or permanently reshaping keratin fibres RARA, RARB, RARG TSHR 3364/4885HTT 293/4885KMT2A 405/4885
US-20090130038-A1 COSMETIC COMPOSITIONS COMPRISING AT LEAST ONE CATIONIC POLYMER AND AT LEAST ONE ESTER OF A C8-C24 FATTY ACID AND OXYETHYLENATED SORBITAN COMPRISING 2 TO 10 OXYETHYLENE MOTIFS, AND COSMETIC TREATMENT METHODS EMPLOYING SAID COMPOSITIONS FABP4, FFAR4, ANXA4 TSHR 3897/4885HTT 996/4885KMT2A 1179/4885
US-20080124295-A1 Process for elimination of the odor retained by keratinic materials in contact with water treated with a halogenated disinfectant KRT18, OR10J3, MUC1 TSHR 2482/4885HTT 1693/4885KMT2A 343/4885

“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.