SCHEMBL4634208

SCHEMBL4634208

COC(=O)c1cc(C#C[Si](C)(C)C)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PTPN11 Q06124 1/20 0.38
GABRA1 P14867 4/20 0.36
GABRA5 P31644 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRA4 P48169 1/20 0.35
HTT P42858 1/20 0.35
ACACB O00763 2/20 0.35
SLC6A9 P48067 1/20 0.35
RORC P51449 1/20 0.35
ULK1 O75385 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4799015 0.93 LMNA (0.35) LMNAPTPN11GABRA1GABRA5IRAK4
SCHEMBL4041321 0.83 PTPN11 (0.47) LMNAPTPN11IRAK4ALDH1A1MAPK1
SCHEMBL21052511 0.82 PTPN11 (0.44) LMNAPTPN11GABRA1GABRA5ALDH1A1
SCHEMBL20944764 0.81 LMNA (0.48) LMNAIRAK4SLC6A9MEN1KMT2A
SCHEMBL3944371 0.81 KCNK3 (0.40) PTPN11GABRA1GABRA5GABRG2GABRB3
SCHEMBL8058019 0.79 PTPN11 (0.58) LMNAPTPN11GABRA1GABRA5GABRG2
SCHEMBL28568675 0.79 GABRA1 (0.44) PTPN11GABRA1GABRA5ALDH1A1MAPT
SCHEMBL4011695 0.79 FFAR1 (0.47) PTPN11IRAK4ALDH1A1MAPK1MAPT
SCHEMBL1785873 0.78 MEN1 (0.45) LMNAPTPN11GABRA1GABRA5ALDH1A1
SCHEMBL7632279 0.77 CA9 (0.42) LMNAGABRA1GABRA5ALDH1A1MAPT

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 LMNA 2918/4885PTPN11 3121/4885GABRA1 2669/4885

“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.