SCHEMBL3097280

SCHEMBL3097280

CN(C)Cc1cc(C=O)cc(Br)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP2C19 P33261 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 3/20 0.44
HIF1A Q16665 2/20 0.44
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
HKDC1 Q2TB90 1/20 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
SCHEMBL18281034 0.88 ALDH1A1 (0.56) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL18281027 0.86 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL5528670 0.82 KDM4E (0.46) ALDH1A1CYP1A2CYP2C9MAPK1KDM4E
SCHEMBL1134641 0.81 MAPT (0.56) ALDH1A1CYP1A2CYP2D6CYP2C9MAPT
SCHEMBL3089365 0.80 ALDH1A1 (0.45) ALDH1A1CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL28007857 0.77 ALDH1A3 (0.49) ALDH1A1HSD17B10HTTMAPTKDM4E
SCHEMBL373244 0.75 ERN1 (0.52) ALDH1A1HIF1AALOX15HSD17B10KDM4E
SCHEMBL1003056 0.75 KDM4E (0.61) ALDH1A1CYP2C19CYP1A2CYP2C9MAPK1
SCHEMBL7291558 0.74 ALDH1A1 (0.55) ALDH1A1CYP2C9ALOX15HSD17B10HTT
Hydrochloric Acid SCHEMBL18281038 0.72 ALDH1A1 (0.53) ALDH1A1CYP2C9ALOX15HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US claimed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US claimed
EP-2069022-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN Henkel AG & Co. KGaA (DE) 2009-06-17 EP claimed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 WO claimed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 US disclosed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 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-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS KRT18, CRYAA, CKAP4 ALDH1A1 426/4885CYP2C19 4067/4885CYP1A2 2184/4885

“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.