SCHEMBL1049882

SCHEMBL1049882

CC[n+]1c(C)ccc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
RAB9A P51151 6/20 0.46
ATM Q13315 2/20 0.46
HTT P42858 6/20 0.44
LMNA P02545 6/20 0.44
POLB P06746 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
BLM P54132 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 4/20 0.43
SLC22A3 O75751 3/20 0.41

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 SCHEMBL6333076 0.98 KDM4E (0.51) KDM4EALDH1A1GAAHPGDMEN1
Iodide SCHEMBL82245 0.98 ALDH1A1 (0.51) KDM4EALDH1A1GAAHPGDMEN1
Iodide SCHEMBL29227333 0.98 KDM4E (0.51) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL6332960 0.93 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL8987999 0.88 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL9935123 0.85 ALDH1A1 (0.54) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL13154142 0.84 MEN1 (0.61) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL31426897 0.84 MEN1 (0.61) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL6335403 0.84 KDM4E (0.58) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL25672216 0.82 MEN1 (0.46) KDM4EALDH1A1GAAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891418-B1 FLUOROMETRIC METHOD FOR MONITORING A CLEAN-IN-PLACE SYSTEM NALCO CO (US) 2017-01-18 EP claimed
EP-2322269-B1 Method of Monitoring Membrane Separation Processes NALCO CO (US) 2012-10-31 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US claimed
EP-2205681-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'Oreal (FR) 2010-07-14 EP claimed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
EP-2054012-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2009-05-06 EP claimed
EP-1263590-B1 THERMALLY IMAGEABLE ELEMENT AND LITHOGRAPHIC PRINTING PLATE KODAK POLYCHROME GRAPHICS CO (US) 2005-03-16 EP claimed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 US claimed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 US claimed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1143923-B1 AGENT AND METHOD FOR COLOURING FIBRES WELLA AG (DE) 2004-05-06 EP claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1235549-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 EP claimed
EP-1200051-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
WO-2001034106-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
WO-2001013866-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-01 WO claimed

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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST KDM4E 1460/4885ALDH1A1 743/4885GAA 3452/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 KDM4E 1659/4885ALDH1A1 77/4885GAA 3140/4885

“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.