SCHEMBL6130191

SCHEMBL6130191

Cc1ccc(NC(C)C)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TRPA1 O75762 2/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
IDO1 P14902 2/20 0.48
GAA P10253 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
CXCR2 P25025 2/20 0.45
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.41
HSD17B2 P37059 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL28091168 0.83 GAA (0.49) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL10629487 0.80 KMT2A (0.51) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3685129 0.79 IDO1 (0.53) LMNAIDO1GAAKMT2AMEN1
SCHEMBL10037099 0.78 RAPGEF4 (0.52) LMNAGAAKMT2AMEN1TDP1
SCHEMBL11406295 0.76 TRPA1 (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL3233888 0.76 TRPA1 (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30671520 0.76 TRPA1 (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL7855939 0.75 CRHR1 (0.38) LMNAIDO1GAAKMT2AMEN1
SCHEMBL3634659 0.75 TDP1 (0.48) IDO1GAATDP1ALDH1A1KDM4E
SCHEMBL29714905 0.75 RAB9A (0.44) LMNAGAAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916346-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-07-12 US disclosed
EP-1353639-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2005-01-26 EP disclosed
US-20040205908-A1 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-10-21 US disclosed
US-6774244-B2 6-(SUBSTITUTED AMINO)-M-CRESOLS AND PREPARATION FROM 6-NITRO-M-CRESOL THE PROCTER & GAMBLE COMPANY 2004-08-10 US disclosed
CN-1486172-A Primary intermediates for oxidative dyeing of hair P&G 2004-03-31 CN disclosed
EP-1353639-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2003-10-22 EP disclosed
US-20020170124-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-11-21 US disclosed
WO-2002058657-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-08-01 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-20020170124-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, MT-CO3 LMNA 1329/4885TRPA1 949/4885CHRM1 2757/4885
US-20040205908-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, MT-CO3 LMNA 1329/4885TRPA1 949/4885CHRM1 2757/4885

“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.