SCHEMBL4604385

SCHEMBL4604385

OCC(O)CN=Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.47
TAAR1 Q96RJ0 3/20 0.45
CA2 P00918 4/20 0.44
GFER P55789 1/20 0.40
CA1 P00915 2/20 0.39
MIF P14174 4/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AMY1A P0DUB6 1/20 0.37
G6PC1 P35575 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4604384 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL7755515 0.77 KDM4E (0.48) ALDH1A1KMT2AMAPTCA2CA1
SCHEMBL11467602 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL11467604 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL4602699 0.74 KMT2A (0.65) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL4602702 0.74 KMT2A (0.65) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL15706619 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL4602823 0.72 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTTAAR1CA2
SCHEMBL4602822 0.72 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTTAAR1CA2
Hydroquinone SCHEMBL3818593 0.72 LMNA (0.56) ALDH1A1KMT2AMAPTTAAR1CA2

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 24 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-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 disclosed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP disclosed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 US 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 (3 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 ALDH1A1 440/4885KMT2A 648/4885MAPT 344/4885
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 ALDH1A1 9/4885KMT2A 1669/4885MAPT 1389/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 ALDH1A1 62/4885KMT2A 943/4885MAPT 1635/4885

“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.