SCHEMBL146006

SCHEMBL146006

CC(=O)c1cc[n+](Cc2ccccc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CA12 O43570 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL144741 0.93 LMNA (0.44) ALDH1A1KDM4ERAB9ALMNAHTT
Sulfuric Acid SCHEMBL141655 0.86 LMNA (0.47) ALDH1A1KDM4ERAB9ALMNAHTT
Sulfuric Acid SCHEMBL141656 0.86 LMNA (0.47) ALDH1A1KDM4ERAB9ALMNAHTT
Benzyl Viologen SCHEMBL4078032 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9ALMNAHTT
SCHEMBL8863313 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ALMNAHTT
P-Cresol SCHEMBL1713061 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ALMNAHTT
SCHEMBL736568 0.83 LMNA (0.56) ALDH1A1KDM4ERAB9ALMNAHTT
SCHEMBL21837231 0.82 RECQL (0.40) ALDH1A1KDM4ERAB9ALMNAHTT
SCHEMBL143552 0.82 MAPT (0.46) ALDH1A1KDM4ERAB9ALMNAHTT
Bromide SCHEMBL140800 0.82 LMNA (0.55) ALDH1A1KDM4ERAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2306963-B1 MATTING ADDITIVE FOR BLEACHING HENKEL AG & CO KGAA (DE) 2018-03-28 EP disclosed
US-9693937-B2 Foil applicator HENKEL AG & CO. KGAA (DE) 2017-07-04 US disclosed
US-20150174019-A1 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2015-06-25 US disclosed
EP-2427247-B1 FOIL APPLICATOR HENKEL AG & CO KGAA (DE) 2013-12-18 EP disclosed
US-8137412-B2 Bleaching with concomitant hair tonicizing HENKEL AG & CO. KGAA (DE) 2012-03-20 US disclosed
EP-2427247-A2 FOIL APPLICATOR Henkel AG & Co. KGaA (DE) 2012-03-14 EP disclosed
US-20120055500-A1 Foil Applicator HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing HENKEL AG & CO. KGAA (DE) 2011-09-29 US disclosed
US-8025704-B2 Matting additive for blond hair dyeing HENKEL AG & CO. KGAA (DE) 2011-09-27 US 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-20110126361-A1 Matting Additive for Blond Hair Dyeing MANNECK HARTMUT 2011-06-02 US disclosed
EP-2306963-A1 MATTING ADDITIVE FOR BLOND HAIR DYING Henkel AG & Co. KGaA (DE) 2011-04-13 EP 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
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 EP disclosed
WO-2010127902-A2 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2010-11-11 WO disclosed
WO-2010015441-A1 MATTING ADDITIVE FOR BLOND HAIR DYING HENKEL AG & CO. KGAA (DE) 2010-02-11 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 (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-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE F12, KRT18, H1-3 ALDH1A1 980/4885KDM4E 2827/4885RAB9A 2260/4885
US-20110126361-A1 Matting Additive for Blond Hair Dyeing LDHB, HMBS, HBB ALDH1A1 2121/4885KDM4E 1253/4885RAB9A 2686/4885
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing KRT18, KAT7, KAT2B ALDH1A1 628/4885KDM4E 1089/4885RAB9A 3602/4885

“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.