SCHEMBL3932022

SCHEMBL3932022

CN(C)CC#Cc1cc2c(c(C(=O)O)c1)OCCCC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.38
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIKFYVE Q9Y2I7 1/20 0.31
PARP1 P09874 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL4038029 0.87 XDH (0.31) XDHSLC22A12
SCHEMBL3935248 0.86 XDH (0.31) XDHSLC22A12
SCHEMBL3943914 0.86 PYCR1 (0.44) TBK1XDHSLC22A12ALDH1A1
SCHEMBL3937181 0.85 XDH (0.37) XDHSLC22A12ALDH1A1PARP1
SCHEMBL3936469 0.83 PTPRC (0.39) XDHSLC22A12ALDH1A1PARP1
SCHEMBL3934645 0.83 XDH (0.34) XDHSLC22A12PARP1
SCHEMBL3936443 0.82 XDH (0.35) XDHSLC22A12ALDH1A1PARP1
SCHEMBL3934750 0.81 XDH (0.33) XDHSLC22A12
SCHEMBL3935173 0.81 XDH (0.34) XDHSLC22A12PARP1
SCHEMBL3936410 0.80 HCAR2 (0.40) XDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US claimed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP claimed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US 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

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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 TBK1 4496/4885XDH 2680/4885SLC22A12 2358/4885

“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.