SCHEMBL4634240

SCHEMBL4634240

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.41
XDH P47989 4/20 0.39
CFD P00746 2/20 0.38
SLC6A9 P48067 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.36
KMO O15229 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL1870041 0.84 SLC6A9 (0.50) ALDH1A1IRAK4XDHSLC6A9
SCHEMBL4037723 0.82 HNF4A (0.56) ALDH1A1IRAK4SLC6A9
SCHEMBL711082 0.78 ALDH1A1 (0.73) ALDH1A1IRAK4CFDKMT2A
SCHEMBL17908023 0.77 CSNK2A1 (0.52) ALDH1A1IRAK4XDHCFDKMT2A
SCHEMBL4017686 0.76 ALDH1A1 (0.50) ALDH1A1IRAK4XDHCFDKMT2A
SCHEMBL17040592 0.76 TSHR (0.53) ALDH1A1IRAK4RORCKMO
SCHEMBL28091356 0.76 ALDH1A1 (0.50) ALDH1A1IRAK4XDHCFDKMT2A
SCHEMBL4317654 0.76 ALDH1A1 (0.50) ALDH1A1IRAK4XDHCFDKMT2A
SCHEMBL727897 0.76 ALDH1A1 (0.53) ALDH1A1IRAK4XDHCFDKMT2A
SCHEMBL4019340 0.76 FFAR1 (0.51) ALDH1A1IRAK4SLC6A9KMT2A

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 3 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 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 (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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ALDH1A1 2416/4885IRAK4 4568/4885XDH 4344/4885

“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.