SCHEMBL1806284

SCHEMBL1806284

NCCCc1ccccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
CYP1A2 P05177 3/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 5/20 0.38
TTR P02766 1/20 0.38
MGLL Q99685 1/20 0.37
MAOA P21397 1/20 0.35
METAP2 P50579 1/20 0.35
HTR6 P50406 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL28841517 0.98 MYC (0.39) MYCCYP1A2SCN1ASCN2ASCN3A
SCHEMBL8954151 0.98 MYC (0.39) MYCCYP1A2SCN1ASCN2ASCN3A
SCHEMBL1806872 0.95 MAOA (0.42) MYCCYP1A2SCN1ASCN2ASCN3A
SCHEMBL6295462 0.93 CYP3A4 (0.43) MYCCYP1A2SCN1ASCN2ASCN3A
SCHEMBL16713743 0.93 CYP3A4 (0.43) MYCCYP1A2SCN1ASCN2ASCN3A
SCHEMBL15578539 0.93 CYP3A4 (0.43) MYCCYP1A2SCN1ASCN2ASCN3A
SCHEMBL1805940 0.89 TAAR1 (0.50) MYCCYP1A2TAAR1TTRHTR6
Fluoride SCHEMBL27730424 0.87 TAAR1 (0.48) MYCCYP1A2TAAR1TTRHTR6
SCHEMBL11341783 0.86 MGLL (0.47) MYCKDM4EALDH1A1TTRMGLL
Tetradecylamine SCHEMBL5611485 0.86 LIPG (0.47)

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
CN-111526862-A Composition for changing hair color 欧莱雅 2020-08-11 CN claimed
CN-117915880-A Hair care composition, method for providing improved frizz definition for hair, and method for treating hair 欧莱雅 2024-04-19 CN disclosed
CN-115348855-A Composition for treating hair 欧莱雅 2022-11-15 CN disclosed
CN-115335489-A Fluorescent labeling agent and fluorescent dye 东洋油墨SC控股株式会社 2022-11-11 CN disclosed
CN-115279331-A Composition for imparting color and tone to hair 欧莱雅 2022-11-01 CN disclosed
CN-113616552-A Composition for changing hair color 欧莱雅 2021-11-09 CN disclosed
CN-111526862-A Composition for changing hair color 欧莱雅 2020-08-11 CN disclosed
CN-110621290-A Kit and method for treating hair 莱雅公司 2019-12-27 CN disclosed
CN-110461341-A Hair-treatment composition OREAL 2019-11-15 CN disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 MYC 3750/4885CYP1A2 487/4885SCN1A 113/4885

“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.