SCHEMBL1961289

SCHEMBL1961289

C=CCNCCCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FAAH O00519 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL757712 0.89
SCHEMBL1073432 0.86 TSHR (0.39) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL614518 0.83 MAPT (0.48) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL26064326 0.78 MAOA (0.46) TSHRMAPTKMT2AMAOAMAOB
SCHEMBL7774674 0.78 ALDH1A1 (0.56) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1489810 0.78 KDM4E (0.40) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
Beta-Alanine SCHEMBL3203420 0.77 HTT (0.34) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL18579869 0.77 TSHR (0.38) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4928566 0.77 MAPT (0.52) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL21723723 0.76 KDM4E (0.41) TSHRSMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2337554-B1 AGENT FOR FIBRES CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO KGAA (DE) 2016-09-07 EP claimed
US-20110142781-A1 AGENT FOR FIBERS CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO. KGAA (DE) 2011-06-16 US claimed
WO-2021161511-A1 COMPOUND AND DRUG CONTAINING SAME 株式会社大分大学先端医学研究所 2021-08-19 WO disclosed
US-20180200177-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES HENKEL AG & CO. KGAA (DE) 2018-07-19 US disclosed
US-8685377-B2 Agent for fibers containing keratin, comprising at least one specific amphiphilic cationic polymer and at least one specific, additional film-forming anionic and/or stabilizing anionic polymer HENKEL AG & CO. KGAA (DE) 2014-04-01 US disclosed
US-20110142781-A1 AGENT FOR FIBERS CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO. KGAA (DE) 2011-06-16 US disclosed
US-20110142781-A1 AGENT FOR FIBERS CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER HENKEL AG & CO. KGAA (DE) 2011-06-16 US disclosed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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 (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-20110142781-A1 AGENT FOR FIBERS CONTAINING KERATIN, COMPRISING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC, ADDITIONAL FILM-FORMING ANIONIC AND/OR STABILIZING ANIONIC POLYMER KRT18, H1-10, C9 TSHR 1658/4885SMN1; SMN2 3257/4885MAPT 2052/4885
US-20180200177-A1 STRAIGHTENING AGENT CONTAINING A POLYMER COMBINATION OF POLYURETHANES AND AMODIMETHICONES KRT18, PCNA, SMCHD1 TSHR 3079/4885SMN1; SMN2 3688/4885MAPT 589/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD TSHR 2013/4885SMN1; SMN2 2796/4885MAPT 3659/4885

“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.