SCHEMBL4602764

SCHEMBL4602764

COc1cc(C=NCCO)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.68
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TRPA1 O75762 1/20 0.54
TRIM24 O15164 1/20 0.54
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
AMY1A P0DUB6 1/20 0.54
TYR P14679 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MMP9 P14780 2/20 0.52
MAPT P10636 4/20 0.52
TTR P02766 1/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51

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
SCHEMBL4602760 1.00 SHBG (0.68) SHBGALDH1A1HPGDTDP1TRPA1
SCHEMBL4602874 0.88 MAPT (0.66) SHBGALDH1A1MEN1KMT2AMAPT
SCHEMBL4602872 0.88 MAPT (0.66) SHBGALDH1A1MEN1KMT2AMAPT
SCHEMBL13310211 0.87 SHBG (0.61) SHBGALDH1A1HPGDTDP1TRPA1
SCHEMBL20435066 0.87 SHBG (0.61) SHBGALDH1A1HPGDTDP1TRPA1
SCHEMBL5377418 0.87 SHBG (0.52) SHBGALDH1A1HPGDTDP1AMY1A
SCHEMBL5377420 0.87 SHBG (0.52) SHBGALDH1A1HPGDTDP1AMY1A
SCHEMBL21843463 0.86 SHBG (0.67) SHBGALDH1A1HPGDTDP1TRPA1
SCHEMBL20630829 0.85 SHBG (0.65) SHBGALDH1A1HPGDTDP1TRPA1
SCHEMBL12111033 0.85 MEN1 (0.70) SHBGALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP claimed
US-7056348-B2 5-aryl-1,3,3-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibers WELLA AG (DE) 2006-06-06 US claimed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 US claimed
US-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres Wella GmbH (DE) 2003-11-20 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
EP-1280773-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES Wella Aktiengesellschaft (DE) 2003-02-05 EP claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 US claimed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 WO claimed
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP disclosed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
EP-1280773-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES Wella Aktiengesellschaft (DE) 2003-02-05 EP disclosed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 US disclosed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed
EP-1194633-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP disclosed
WO-2001086057-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 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 (4 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-20030213071-A1 5-Aryl-1.3.3.-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibres INMT, KRT18, IPO5 SHBG 1650/4885ALDH1A1 440/4885HPGD 2061/4885
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 SHBG 1848/4885ALDH1A1 9/4885HPGD 261/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 SHBG 1835/4885ALDH1A1 780/4885HPGD 194/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 SHBG 3334/4885ALDH1A1 62/4885HPGD 1385/4885

“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.