SCHEMBL4019340

SCHEMBL4019340

COc1ccccc1C#Cc1ccc(OC(C)C)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
PTGES O14684 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HNF4A P41235 1/20 0.43
HTT P42858 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
UBLCP1 Q8WVY7 1/20 0.40
SLC6A9 P48067 1/20 0.40
SLC16A3 O15427 1/20 0.39
GCK P35557 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4011695 0.89 FFAR1 (0.47) FFAR1PTGESPTGDR2ALDH1A1KDM4E
SCHEMBL13957725 0.89 IRAK4 (0.56) FFAR1PTGESPTGDR2IRAK4KMT2A
SCHEMBL13945493 0.87 FFAR1 (0.46) FFAR1PTGESPTGDR2ALDH1A1IRAK4
SCHEMBL4037723 0.87 HNF4A (0.56) FFAR1ALDH1A1KDM4EHPGDIRAK4
SCHEMBL4184777 0.83 FFAR1 (0.42) FFAR1PTGESPTGDR2ALDH1A1KDM4E
SCHEMBL4633766 0.81 FFAR1 (0.52) FFAR1PTGESPTGDR2ALDH1A1KDM4E
SCHEMBL4041321 0.78 PTPN11 (0.47) FFAR1PTGESALDH1A1KDM4EIRAK4
SCHEMBL23143181 0.78 HNF4A (0.63) FFAR1ALDH1A1KDM4EHPGDHNF4A
SCHEMBL8599454 0.77 FFAR1 (0.49) FFAR1PTGDR2ALDH1A1KDM4EHPGD
SCHEMBL14159152 0.76 IRAK4 (0.59) FFAR1IRAK4KMT2AHNF4AHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US claimed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP claimed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP disclosed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
US-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AG (DE) 2008-11-06 US disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP disclosed
WO-2008116671-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-02 WO disclosed
EP-1975159-A1 2,3,4,9-Tetrahydro-1H-carbazoles Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-01 EP disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 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 (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-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES FSHR, GNRHR, CYP19A1 FFAR1 1369/4885PTGES 3626/4885PTGDR2 376/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 FFAR1 137/4885PTGES 2716/4885PTGDR2 221/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 FFAR1 45/4885PTGES 2734/4885PTGDR2 689/4885
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR FFAR1 328/4885PTGES 2240/4885PTGDR2 680/4885

“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.