SCHEMBL4602872

SCHEMBL4602872

COc1ccc(/C=N/CCO)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
CYP1A2 P05177 1/20 0.66
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
RORC P51449 1/20 0.55
ALDH1A1 P00352 1/20 0.54
AOX1 Q06278 1/20 0.54
SHBG P04278 1/20 0.53
APP P05067 1/20 0.51
MPO P05164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TUBB1 Q9H4B7 4/20 0.50
ERN1 O75460 1/20 0.50

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
SCHEMBL4602874 1.00 MAPT (0.66) MAPTCYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL4602764 0.88 SHBG (0.68) MAPTCYP1A2ALDH1A1SHBGAPP
SCHEMBL4602760 0.88 SHBG (0.68) MAPTCYP1A2ALDH1A1SHBGAPP
SCHEMBL5377420 0.87 SHBG (0.52) MAPTCYP1A2ALDH1A1SHBGKDM4E
SCHEMBL5377418 0.87 SHBG (0.52) MAPTCYP1A2ALDH1A1SHBGKDM4E
SCHEMBL5388886 0.85 KMT2A (0.54) MAPTCYP1A2ALDH1A1SHBGKDM4E
SCHEMBL5388889 0.85 KMT2A (0.54) MAPTCYP1A2ALDH1A1SHBGKDM4E
SCHEMBL4601969 0.80 POLB (0.59) MAPTCYP1A2ALDH1A1SHBGKDM4E
SCHEMBL11744328 0.80 MAPT (1.00) MAPTCYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL4601968 0.80 POLB (0.59) MAPTCYP1A2ALDH1A1SHBGKDM4E

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 33 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-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP claimed
WO-2001086057-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 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
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 MAPT 344/4885CYP1A2 570/4885GRIN2D 4345/4885
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 MAPT 1389/4885CYP1A2 260/4885GRIN2D 1775/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 MAPT 2036/4885CYP1A2 1890/4885GRIN2D 4362/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 MAPT 1635/4885CYP1A2 1465/4885GRIN2D 2810/4885

“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.