SCHEMBL734875

SCHEMBL734875

CC(=O)C[n+]1ccc(C(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.44
RCE1 Q9Y256 1/20 0.44
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B1 P14061 1/20 0.39
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
RGS12 O14924 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
Bromide SCHEMBL144907 0.98 KMT2A (0.47) KMT2AMEN1RCE1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL17847864 0.98 KMT2A (0.43) KMT2AMEN1RCE1ALDH1A1RAB9A
Sulfuric Acid SCHEMBL141470 0.89 KMT2A (0.38) KMT2AMEN1RCE1ALDH1A1RAB9A
Sulfuric Acid SCHEMBL141469 0.89 KMT2A (0.38) KMT2AMEN1RCE1ALDH1A1RAB9A
SCHEMBL19037386 0.84 KMT2A (0.50) KMT2AMEN1RCE1RAB9AHPGD
SCHEMBL14621784 0.83 KMT2A (0.50) KMT2AMEN1RCE1ALDH1A1RAB9A
SCHEMBL11925329 0.83 MEN1 (0.64) KMT2AMEN1RCE1ALDH1A1RAB9A
SCHEMBL290669 0.83 KMT2A (0.42) KMT2AMEN1RCE1ALDH1A1RAB9A
SCHEMBL10595348 0.82 SMN1; SMN2 (0.40) KMT2AMEN1RCE1ALDH1A1RAB9A
SCHEMBL11926229 0.82 ALDH1A1 (0.45) KMT2AMEN1RCE1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233801-B1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS OREAL (FR) 2022-06-08 EP claimed
EP-3233801-B1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS OREAL (FR) 2022-06-08 EP disclosed
CN-106999394-B Use, composition and implementation method of specific pyridinium salt for treating keratin materials 欧莱雅 2021-09-24 CN disclosed
US-10765615-B2 Use of particular pyridinium salts for the treatment of keratin substances, compositions and implementation methods L'OREAL (FR) 2020-09-08 US disclosed
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
US-20170340543-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2017-11-30 US disclosed
US-20170340543-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2017-11-30 US disclosed
WO-2016097413-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS L'OREAL (FR) 2016-06-23 WO disclosed
US-8137412-B2 Bleaching with concomitant hair tonicizing HENKEL AG & CO. KGAA (DE) 2012-03-20 US disclosed
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing HENKEL AG & CO. KGAA (DE) 2011-09-29 US disclosed
EP-2355778-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING Henkel AG & Co. KGaA (DE) 2011-08-17 EP disclosed
US-7981166-B2 Bleaching agent having cationic acyl pyridinium derivatives, co-bleaching activators and hydrogen peroxide HENKEL AG & CO. KGAA (DE) 2011-07-19 US disclosed
US-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2011-03-03 US disclosed
WO-2010066720-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING HENKEL AG & CO. KGAA (DE) 2010-06-17 WO disclosed
WO-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 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 (4 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-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE F12, KRT18, H1-3 KMT2A 1559/4885MEN1 4718/4885RCE1 4420/4885
US-20170340543-A1 USE OF PARTICULAR PYRIDINIUM SALTS FOR THE TREATMENT OF KERATIN SUBSTANCES, COMPOSITIONS AND IMPLEMENTATION METHODS KRT18, PLPBP, PNPO KMT2A 1799/4885MEN1 2850/4885RCE1 4160/4885
US-10765615-B2 Use of particular pyridinium salts for the treatment of keratin substances, compositions and implementation methods KRT18, PLPBP, PNPO KMT2A 1799/4885MEN1 2850/4885RCE1 4160/4885
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing KRT18, KAT7, KAT2B KMT2A 480/4885MEN1 4676/4885RCE1 4824/4885

“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.