SCHEMBL14784649

SCHEMBL14784649

C[N+](C)(C)CCNc1cc(O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
RECQL P46063 2/20 0.42
TSHR P16473 1/20 0.42
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
THRB P10828 2/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
PRSS1 P07477 6/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL14784758 0.91 CYP3A4 (0.38) CYP3A4RECQLTSHRCHRM2CHRM1
SCHEMBL14785131 0.90 CYP3A4 (0.40) CYP3A4RECQLTSHRCHRM2CHRM1
SCHEMBL14785297 0.85 CYP3A4 (0.36) CYP3A4RECQLTSHRCHRM2CHRM1
SCHEMBL14785079 0.85 CYP3A4 (0.36) CYP3A4RECQLTSHRCHRM2CHRM1
SCHEMBL14784621 0.83 CYP3A4 (0.35) CYP3A4RECQLTSHRCHRM2CHRM1
SCHEMBL15041173 0.83 LMNA (0.39) LMNAALOX15KDM4EHPGDPRSS1
SCHEMBL14341767 0.80 CYP3A4 (0.63) CYP3A4RECQLTSHRCHRM2CHRM1
SCHEMBL2929927 0.80 HSD17B2 (0.40) CYP3A4TSHRLMNAALDH1A1PKM
Hydrochloric Acid SCHEMBL6268852 0.79 HSD17B2 (0.40) CYP3A4TSHRLMNAALDH1A1PKM
SCHEMBL2929239 0.78 ALDH1A1 (0.42) CYP3A4RECQLCHRM2CHRM1CHRM3

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-20160374913-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE OREAL (FR) 2016-12-29 US claimed
US-9271910-B2 Dye composition comprising a cationic para-aminophenol oxidation base L'OREAL (FR) 2016-03-01 US claimed
EP-2755629-B1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE OREAL (FR) 2015-06-17 EP claimed
US-20140352081-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2014-12-04 US claimed
EP-2755629-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2014-07-23 EP claimed
WO-2013037907-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2013-03-21 WO claimed
US-20160374913-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE OREAL (FR) 2016-12-29 US disclosed
US-9271910-B2 Dye composition comprising a cationic para-aminophenol oxidation base L'OREAL (FR) 2016-03-01 US disclosed
EP-2755629-B1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE OREAL (FR) 2015-06-17 EP disclosed
US-20140352081-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2014-12-04 US disclosed
WO-2013037907-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE L'OREAL (FR) 2013-03-21 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 (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-20140352081-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE TYR, PAH, DDC CYP3A4 196/4885RECQL 2862/4885TSHR 3450/4885
US-20160374913-A1 DYE COMPOSITION COMPRISING A CATIONIC PARA-AMINOPHENOL OXIDATION BASE NR2E3, NR3C2, NR2C2 CYP3A4 477/4885RECQL 3125/4885TSHR 447/4885

“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.