SCHEMBL2833014

SCHEMBL2833014

C=C(CCCOC(=O)C(=C)CCCN(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
GAA P10253 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4A O75164 5/20 0.32
KDM4C Q9H3R0 5/20 0.32

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
SCHEMBL5830558 0.95 KDM4A (0.37) DNM1GAAKDM4ESMN1; SMN2ALDH1A1
Bromide SCHEMBL1061717 0.86 KDM4A (0.39) DNM1TSHRKDM4ESMN1; SMN2ALDH1A1
Methacrylic Acid SCHEMBL1627466 0.86 CHRM1 (0.41) DNM1CHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL7779909 0.84 TSHR (0.54) DNM1TSHR
SCHEMBL666460 0.84 TSHR (0.42) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22599 0.84 KDM4A (0.40) DNM1TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7502000 0.84 KDM4A (0.40) DNM1TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4162830 0.84 TSHR (0.54) DNM1GAATSHRKDM4ESMN1; SMN2
SCHEMBL8736372 0.83 CHRM2 (0.36) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28015079 0.83 DNM1 (0.44) DNM1GAACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041338-B2 Process for providing a coated paper, a resin coated paper, a polymeric film, and a flexible or inflexible woven fabric substrate by utilizing a coating composition containing a nitrogenous dye-fixing compound PIXTERRA, INC. (US) 2006-05-09 US claimed
US-20030219539-A1 Coating compositions, process for making coating compositions, method for providing a water-resistant image on a substrate using an ink-jet printer and printed substrate thereof PIXTERRA INC 2003-11-27 US claimed
WO-2003092913-A1 INK-JET COATING COMPOSITIONS, PROCESS FOR MAKING, AND USE IN PROVIDING WATER-RESISTANT IMAGE PIXTERRA, INC. (US) 2003-11-13 WO claimed
US-20100239673-A1 Blood compatible nanomaterials and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 US disclosed
WO-2008045021-A2 BLOOD COMPATIBLE NANOMATERIALS AND METHODS OF MAKING AND USING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-04-17 WO disclosed
US-7041338-B2 Process for providing a coated paper, a resin coated paper, a polymeric film, and a flexible or inflexible woven fabric substrate by utilizing a coating composition containing a nitrogenous dye-fixing compound PIXTERRA, INC. (US) 2006-05-09 US disclosed
US-20040202832-A1 Ink-jet recording medium with at least two layers coated upon a substrate, method for recording a water-resistant image on the medium using an ink-jet printer and the recorded medium thereof PIXTERRA, INC. 2004-10-14 US disclosed
WO-2004005039-A1 INK-JET RECORDING MEDIUM, METHOD FOR RECORDING A WATER-RESISTANT IMAGE ON THE MEDIUM AND THE RECORDED MEDIUM PIXTERRA, INC. (US) 2004-01-15 WO disclosed
US-20030219539-A1 Coating compositions, process for making coating compositions, method for providing a water-resistant image on a substrate using an ink-jet printer and printed substrate thereof PIXTERRA INC 2003-11-27 US disclosed
WO-2003092913-A1 INK-JET COATING COMPOSITIONS, PROCESS FOR MAKING, AND USE IN PROVIDING WATER-RESISTANT IMAGE PIXTERRA, INC. (US) 2003-11-13 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 (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-20100239673-A1 Blood compatible nanomaterials and methods of making and using the same MB, ICAM1, F3 DNM1 4793/4885GAA 3846/4885CHRM2 4678/4885

“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.