SCHEMBL10274898

SCHEMBL10274898

CC1(N)CCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL853285 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL284364 1.00
SCHEMBL9909079 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL8919 1.00
SCHEMBL8424624 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL22448471 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL24054976 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL13122851 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL21120437 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19
SCHEMBL12094717 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP2C19

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
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-8399094-B2 Multilayer laminated articles including polyurethane and/or poly(ureaurethane) layers and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2013-03-19 US disclosed
US-8399559-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2013-03-19 US disclosed
US-8349986-B2 Poly(ureaurethane)s, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2013-01-08 US disclosed
US-8207286-B2 Methods for preparing polyurethanes PPG INDUSTRIES OHIO, INC (US) 2012-06-26 US disclosed
US-7879955-B2 Compositions including a polythioether PRC-DESOTO INTERNATIONAL, INC. 2011-02-01 US disclosed
US-20100184899-A1 THIOETHERS, METHODS FOR THEIR PREPARATION, AND COMPOSITIONS INCLUDING SUCH THIOETHERS PRC-DESOTO INTERNATIONAL, INC. (US) 2010-07-22 US disclosed
US-20100086792-A1 POLYIMIDE PRECURSOR, ITS COMPOSITION AND POLYIMIDE LAMINATE ETERNAL CHEMICAL CO., LTD. (TW) 2010-04-08 US disclosed
US-20100048852-A1 High impact poly(urethane urea) polysulfides PPG INDUSTRIES OHIO, INC. (US) 2010-02-25 US disclosed
US-20090280709-A1 Polyurethanes, Articles and Coatings Prepared Therefrom and Methods of Making the Same PPG INDUSTRIES OHIO, INC. (US) 2009-11-12 US disclosed
US-20080139684-A1 PROCESS FOR PREPARING A POLYURETHANE UREA POLISHING PAD PPG INDUSTRIES OHIO, INC. (US) 2008-06-12 US disclosed
US-20070256597-A1 Poly(ureaurethane)s, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-11-08 US disclosed
US-7291063-B2 Polyurethane urea polishing pad PPG INDUSTRIES OHIO, INC. (US) 2007-11-06 US disclosed
US-20070248827-A1 Multilayer laminated articles including polyurethane and/or poly(ureaurethane) layers and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-10-25 US disclosed
US-20070225468-A1 Polyurethanes prepared from polyester polyols and/or polycaprolactone polyols, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-09-27 US disclosed
US-20070155942-A1 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-07-05 US disclosed
US-20070149748-A1 Poly(ureaurethane)s, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-06-28 US disclosed
US-20070148471-A1 Impact resistant polyurethane and poly(ureaurethane) articles and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-06-28 US disclosed
US-20070149747-A1 Poly(ureaurethane)s, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. 2007-06-28 US disclosed
US-20070142606-A1 Polyurethane (ureas) and sulfur-containing polyurethane (ureas) methods of preparation PPG INDUSTRIES OHIO, INC. 2007-06-21 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 (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-20100184899-A1 THIOETHERS, METHODS FOR THEIR PREPARATION, AND COMPOSITIONS INCLUDING SUCH THIOETHERS TTPA, CTH, GSTO1 ALDH1A1 1900/4885TDP1 2879/4885TSHR 2588/4885
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP ALDH1A1 1089/4885TDP1 2701/4885TSHR 3100/4885

“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.