SCHEMBL1960042

SCHEMBL1960042

CCCCNCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
SOAT1 P35610 2/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 1/20 0.42
PAOX Q6QHF9 1/20 0.42
KDM4E B2RXH2 2/20 0.41
EPHX1 P07099 2/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7765758 0.93 ALDH1A1 (0.56) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL13469008 0.93 TSHR (0.48) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL28356564 0.91 ALDH1A1 (0.54) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL8170763 0.91 ALDH1A1 (0.54) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL29025792 0.91 ALDH1A1 (0.54) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL8519620 0.91 ALDH1A1 (0.54) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL29113797 0.91 ALDH1A1 (0.54) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL13469009 0.91 TSHR (0.52) TSHRALDH1A1SOAT1MEN1FAAH
Butyramide SCHEMBL10937056 0.91 TSHR (0.46) TSHRALDH1A1HDAC1HDAC2SOAT1
SCHEMBL23929253 0.89 SOAT1 (0.53) TSHRALDH1A1SOAT1MEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2022-03-08 US disclosed
US-20200383979-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2020-12-10 US disclosed
EP-2793839-A2 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER Henkel AG & Co. KGaA (DE) 2014-10-29 EP disclosed
EP-2794019-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER Henkel AG & Co. KGaA (DE) 2014-10-29 EP disclosed
EP-2794020-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPIPHILIC CATIONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER Henkel AG & Co. KGaA (DE) 2014-10-29 EP disclosed
WO-2013092073-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
WO-2013092075-A2 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST ONE SPECIFIC AMPIPHILIC CATIONIC POLYMER AND AT LEAST A POLYMER WITH STRUCTURAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
WO-2013092062-A2 AGENT FOR KERATINOUS FIBRES, CONTAINING AT LEAST ONE SPECIFIC AMPHIPHILIC CATIONIC POLYMER AND AT LEAST ONE SPECIFIC COPOLYMER HENKEL AG & CO. KGAA (DE) 2013-06-27 WO disclosed
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 US disclosed
EP-2337554-A2 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) 2011-06-29 EP 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
WO-2010020499-A2 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) 2010-02-25 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 (4 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 1658/4885ALDH1A1 2479/4885HDAC1 360/4885
US-20200383979-A1 TRIARYL COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CD274, PDCD1, PDCD1LG2 TSHR 61/4885ALDH1A1 380/4885HDAC1 171/4885
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 TSHR 1489/4885ALDH1A1 92/4885HDAC1 533/4885
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CD274, PDCD1, PDCD1LG2 TSHR 61/4885ALDH1A1 380/4885HDAC1 171/4885

“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.