SCHEMBL2860170

SCHEMBL2860170

C=C(C)C(=O)NCCCN(C)C.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 6/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.40
ALB P02768 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 2/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
MEN1 O00255 1/20 0.39
RAD52 P43351 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
SCHEMBL17870956 0.85 ALDH1A1 (0.42) CA12CA2CA9TSHRMAPT
SCHEMBL5698977 0.84 RAB9A (0.41) CA12CA2CA9ALOX15TSHR
Sulfuric Acid SCHEMBL127139 0.82 KDM4E (0.50) LMNAKDM4EMAPK1
SCHEMBL28507225 0.80 KDM4E (0.48) LMNAKDM4E
SCHEMBL21954 0.79 KDM4E (0.56) ALOX15ALDH1A1HTTLMNAKDM4E
SCHEMBL28780748 0.78 CA12 (0.58) CA12CA2CA9ALOX15TSHR
Ammonia Solution, Strong SCHEMBL23532663 0.78 KDM4E (0.54) ALOX15ALDH1A1HTTLMNAKDM4E
Hydrochloric Acid SCHEMBL111099 0.78 KDM4E (0.54) ALOX15ALDH1A1HTTLMNAKDM4E
SCHEMBL111005 0.78 KDM4E (0.50) TSHRALDH1A1LMNAKDM4EMAPK1
Acetone SCHEMBL28357455 0.78 KDM4E (0.54) ALOX15ALDH1A1HTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015013780-A1 COMPOSITION COMPRISING AN AMINOSILICONE, A CATIONIC SURFACTANT AND A CATIONIC ASSOCIATIVE POLYMER L' OREAL (FR) 2015-02-05 WO disclosed
EP-1707182-B2 Dye composition comprising a fatty acid ester and process for dyeing keratin fibres using the same ORÉAL L (FR) 2014-09-10 EP disclosed
EP-1707182-B1 Dye composition comprising a fatty acid ester and process for dyeing keratin fibres using the same OREAL (FR) 2010-10-20 EP disclosed
EP-1652554-B1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition OREAL (FR) 2010-01-13 EP disclosed
EP-1652553-B1 Composition comprising at least one carbocyanine, process of treating keratinic fibres, kit and use of said composition OREAL (FR) 2009-06-03 EP disclosed
EP-1458338-B1 DYEING COMPOSITION FOR KERATINOUS FIBERS COMPRISING AN OXYETHYLENE RAPESEED FATTY ACID AMIDE OREAL (FR) 2006-09-20 EP disclosed
EP-1652553-A1 Composition comprising at least one carbocyanine, process of treating keratinic fibres, kit and use of said composition L'OREAL (FR) 2006-05-03 EP disclosed
EP-1652554-A1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition L'OREAL (FR) 2006-05-03 EP disclosed
EP-1357887-B1 COSMETIC COMPOSITION COMPRISING A FIXING POLYMER AND A CATIONIC POLY(VINYLLACTAM) OREAL (FR) 2006-03-29 EP disclosed
EP-1634575-A1 Composition comprising at least one carbocyanine, process of treating keratinic fibres, kit and use of said composition L'OREAL (FR) 2006-03-15 EP disclosed
US-20050125912-A1 Dyeing composition for keratinous fibers comprising an oxyethylene rapeseed fatty acid amide L'OREAL S.A. (FR) 2005-06-16 US disclosed
EP-1458338-A2 DYEING COMPOSITION FOR KERATINOUS FIBERS COMPRISING AN OXYETHYLENE RAPESEED FATTY ACID AMIDE L'OREAL (FR) 2004-09-22 EP disclosed
WO-2003053329-A2 DYEING COMPOSITION FOR KERATINOUS FIBERS COMPRISING AN OXYETHYLENE RAPESEED FATTY ACID AMIDE L'OREAL (FR) 2003-07-03 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 (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-20050125912-A1 Dyeing composition for keratinous fibers comprising an oxyethylene rapeseed fatty acid amide KRT18, ELOVL5, FADS1 CA12 1055/4885CA2 2244/4885CA9 949/4885

“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.