SCHEMBL453729

SCHEMBL453729

Cc1ccc(NC(C)C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
PTGS1 P23219 1/20 0.50
CACNA1C Q13936 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ACHE P22303 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
SCHEMBL95127 0.86 TRPA1 (0.48) TRPA1PTGS1CACNA1CCYP1A2CYP2D6
SCHEMBL6933453 0.86 TRPA1 (0.48) TRPA1PTGS1CACNA1CCYP1A2CYP2D6
SCHEMBL3724489 0.83 TDP1 (0.46) TRPA1PTGS1CACNA1CCYP1A2CYP2D6
SCHEMBL11808580 0.83 IDO1 (0.47) TRPA1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6932118 0.81 ALDH1A1 (0.59) TRPA1PTGS1CACNA1CCYP1A2CYP2D6
SCHEMBL5299443 0.80 TDP1 (0.46) CYP3A4GAAALDH1A1TSHRLMNA
SCHEMBL3685129 0.79 IDO1 (0.53) CYP3A4MEN1GAAKMT2AALDH1A1
SCHEMBL7688086 0.79 CYP1A2 (0.57) TRPA1PTGS1CACNA1CCYP1A2CYP2D6
SCHEMBL6928569 0.79 CYP1A2 (0.57) TRPA1PTGS1CACNA1CCYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL28135606 0.78 TDP1 (0.44) CYP3A4GAAALDH1A1TSHRLMNA

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 192 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
EP-1484048-B1 Hair colouring compositions NOXELL CORP (US) 2019-01-02 EP disclosed
US-20180360706-A1 Delivery Particles PROCTER & GAMBLE (US) 2018-12-20 US disclosed
EP-2308564-B1 Thickened hair colourant and bleaching compositions NOXELL CORP (US) 2018-12-19 EP disclosed
US-9993793-B2 Delivery particles THE PROCTER & GAMBLE COMPANY (US) 2018-06-12 US disclosed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
WO-2004108102-A1 HAIR COLOURING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-12-16 WO disclosed
EP-1484048-A1 Hair colouring compositions The Procter & Gamble Company (US) 2004-12-08 EP disclosed
US-20040237218-A1 Hair colouring compositions WELLA OPERATIONS US, LLC 2004-12-02 US disclosed
CN-1477948-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-25 CN disclosed
EP-1363587-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-Clairol, Inc. (US) 2003-11-26 EP disclosed
US-6409773-B1 AMINOPHENOL COUPLERS CLAIROL INCORPORATED 2002-06-25 US disclosed
WO-2002047635-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-06-20 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 (6 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 TRPA1 3563/4885PTGS1 1686/4885CACNA1C 4073/4885
US-20180360706-A1 Delivery Particles LIPA, CHMP4B, ABCB4 TRPA1 3737/4885PTGS1 1522/4885CACNA1C 4107/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 TRPA1 3563/4885PTGS1 1686/4885CACNA1C 4073/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 TRPA1 3563/4885PTGS1 1686/4885CACNA1C 4073/4885
US-20040237218-A1 Hair colouring compositions COXFA4L2, CYBA, MT-CO3 TRPA1 805/4885PTGS1 2468/4885CACNA1C 2355/4885
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, JUP, CKMT1A; CKMT1B TRPA1 2263/4885PTGS1 1020/4885CACNA1C 4521/4885

“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.