SCHEMBL4020950

SCHEMBL4020950

COC(=O)c1cc(I)ccc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RORC P51449 1/20 0.40
ULK1 O75385 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL16054943 0.87 ALDH1A1 (0.43) IRAK4HTTALDH1A1KDM4EULK1
SCHEMBL4799015 0.84 LMNA (0.35) IRAK4HTTALDH1A1KDM4EULK1
SCHEMBL4644353 0.84 HTT (0.36) HTTALDH1A1KDM4ELMNAKMT2A
SCHEMBL4017686 0.83 ALDH1A1 (0.50) IRAK4ALDH1A1KDM4ERORCKMT2A
SCHEMBL412460 0.83 KDM4E (0.49) HTTALDH1A1KDM4ELMNAKMT2A
SCHEMBL30393778 0.83 KDM4E (0.49) HTTALDH1A1KDM4ELMNAKMT2A
SCHEMBL711322 0.82 CA12 (0.59) IRAK4RORCULK1LMNAIDO1
SCHEMBL4184777 0.81 FFAR1 (0.42) IRAK4HTTALDH1A1KDM4EKMT2A
SCHEMBL8512426 0.81 HSD17B10 (0.52) IRAK4HTTALDH1A1KDM4ELMNA
SCHEMBL7564303 0.81 GAA (0.54) IRAK4HTTALDH1A1KDM4ERORC

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (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 (7 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 IRAK4 3668/4885HTT 934/4885ALDH1A1 2820/4885
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 IRAK4 4761/4885HTT 202/4885ALDH1A1 3116/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 IRAK4 4568/4885HTT 248/4885ALDH1A1 2416/4885
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT IRAK4 4552/4885HTT 711/4885ALDH1A1 4226/4885
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 IRAK4 4833/4885HTT 263/4885ALDH1A1 2364/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 IRAK4 4608/4885HTT 985/4885ALDH1A1 388/4885
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR IRAK4 4277/4885HTT 1022/4885ALDH1A1 1026/4885

“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.