SCHEMBL7709808

SCHEMBL7709808

C=C(C)C(=O)NC(C)(C)N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.35
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.32
FDPS P14324 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
Hydrochloric Acid SCHEMBL11184246 0.98 TDP1 (0.38) TDP1ALDH1A1TGFBR1KDM4E
SCHEMBL28032433 0.83 TDP1 (0.38) TDP1ALDH1A1TGFBR1KDM4E
Hydrochloric Acid SCHEMBL5871680 0.81 TDP1 (0.36) TDP1ALDH1A1TGFBR1KDM4E
Hydrochloric Acid SCHEMBL5194198 0.79 TDP1 (0.35) TDP1ALDH1A1TGFBR1
SCHEMBL138082 0.79 EPHX1 (0.41) TDP1ALDH1A1TGFBR1KDM4ERXFP1
SCHEMBL9682306 0.78 RXFP1 (0.34) TDP1ALDH1A1TGFBR1RXFP1
SCHEMBL27482325 0.78 TGFBR1 (0.33) TDP1ALDH1A1TGFBR1
SCHEMBL822811 0.77 ALDH1A1 (0.36) TDP1ALDH1A1TGFBR1KDM4ERXFP1
SCHEMBL9242168 0.77 EPHX1 (0.39) TDP1ALDH1A1TGFBR1KDM4ERXFP1
SCHEMBL11122559 0.77 ALDH1A1 (0.36) TDP1ALDH1A1TGFBR1KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280638-A1 FILTERING MATERIAL, FILTER, METHOD OF FILTRATION, METHOD OF PRODUCING PHENYLIMINE COMPOUND, METHOD OF PRODUCING ALKOXYPHENYLIMINE COMPOUND, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2016-09-29 US disclosed
US-6361768-B1 POLYMER FORMED BY COPOLYMERIZATION OF ANIONIC MONOMER HAVING CARBOXY-FUNCTIONAL GROUP, NON-QUATERNIZED CATIONIC MONOMER HAVING AMINO-FUNCTIONAL GROUP, NON-IONIC HYDROPHILIC MONOMER, HYDROPHOBIC MONOMER, OPTIONAL CROSSLINKING MONOMER PMD HOLDINGS CORP. 2002-03-26 US disclosed
CN-1337426-A Painting material containing colouring resin sheet, water paint composition containing resin sheet, and painting material for forming colourful grains KIKUMIZU CHEMICAL INDUSTRY CO (JP) 2002-02-27 CN disclosed
EP-1147138-A1 HYDROPHILIC AMPHOLYTIC POLYMER The B.F. Goodrich Company (US) 2001-10-24 EP disclosed
WO-2000039176-A1 HYDROPHILIC AMPHOLYTIC POLYMER THE B.F. GOODRICH COMPANY (US) 2000-07-06 WO disclosed
EP-0002254-B1 PREPARATION OF N-(AMINOMETHYL)-ALPHA,BETA-ETHYLENICALLY UNSATURATED CARBOXAMIDES, THEIR POLYMERS AND THE QUATERNIZED CARBOXAMIDES THEREOF THE DOW CHEMICAL COMPANY (US) 1981-12-30 EP disclosed
US-4288390-A REACTION IN AN ACIDIC MEDIUM THE DOW CHEMICAL CO. (US) 1981-09-08 US disclosed
US-4166828-A REACTING ALDEHYDES, AMINES AND UNSATURATED AMIDES THE DOW CHEMICAL COMPANY (US) 1979-09-04 US disclosed
EP-0002254-A1 Preparation of N-(aminomethyl)-alpha,beta-ethylenically unsaturated carboxamides, their polymers and the quaternized carboxamides thereof THE DOW CHEMICAL COMPANY (US) 1979-06-13 EP 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-20160280638-A1 FILTERING MATERIAL, FILTER, METHOD OF FILTRATION, METHOD OF PRODUCING PHENYLIMINE COMPOUND, METHOD OF PRODUCING ALKOXYPHENYLIMINE COMPOUND, AND COMPOUND PAH, C5, C9 TDP1 3866/4885ALDH1A1 1103/4885TGFBR1 113/4885

“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.