SCHEMBL3338261

SCHEMBL3338261

CC(C)(N)c1cc(N)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
TSHR P16473 3/20 0.45
CASP1 P29466 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 5/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP2C9 P11712 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NR1H4 Q96RI1 3/20 0.41
PRKCI P41743 1/20 0.41
GAA P10253 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 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
SCHEMBL2874961 0.84 ALDH1A1 (0.61) PDE10ATSHRCASP1CA1CA2
SCHEMBL8440155 0.83 PDE10A (0.50) PDE10ATSHRCASP1CA1CA2
Hydrochloric Acid SCHEMBL11798129 0.83 ALDH1A1 (0.59) PDE10ATSHRCASP1CA1CA2
SCHEMBL17774737 0.82 PDE10A (0.45) PDE10ATSHRCASP1CA1CA2
SCHEMBL17774733 0.82 PDE10A (0.45) PDE10ATSHRCASP1CA1CA2
SCHEMBL17774762 0.79 ALDH1A1 (0.47) PDE10ATSHRCASP1CA1CA2
SCHEMBL1698927 0.78 ALDH1A1 (0.45) TSHRALDH1A1ALOX15HSD17B10CYP2C9
SCHEMBL111108 0.78 PRKCI (0.46) PDE10ATSHRCASP1CA1CA2
SCHEMBL11518066 0.78 PRKCI (0.46) PDE10ATSHRCASP1CA1CA2
SCHEMBL17774738 0.77 PDE10A (0.41) PDE10ATSHRCASP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1239817-A1 USE OF METHYLCHINOLINIUM COMPOUNDS FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-18 EP claimed
WO-2001047483-A1 USE OF METHYLCHINOLINIUM COMPOUNDS FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO claimed
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP claimed
WO-1987003475-A2 OXIDIZING HAIR DYER BASED ON 4-AMINO-2-AMINOMETHYLPHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1987-06-18 WO claimed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-8753408-B2 Reductive decoloration of keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2014-06-17 US disclosed
US-20100146710-A1 Reductive Decoloration of Keratin-Containing Fibers HENKEL AG & CO. KGAA (DE) 2010-06-17 US disclosed
US-6224856-B1 Means and method for tinting keratin fibers, particularly human hair WELLA AKTIENGESELLSCHAFT (DE) 2001-05-01 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR PDE10A 3327/4885TSHR 3932/4885CASP1 1675/4885

“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.