SCHEMBL3935173

SCHEMBL3935173

O=C(O)c1cc(C#CCCCCO)cc2c1OCCCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL3936469 0.92 PTPRC (0.39) XDHSLC22A12PTPRCPTPRGHCAR2
SCHEMBL3939733 0.88 XDH (0.38) XDHSLC22A12HCAR2
SCHEMBL3937181 0.87 XDH (0.37) XDHSLC22A12PARP1
SCHEMBL3936443 0.86 XDH (0.35) XDHSLC22A12HCAR2PARP1
SCHEMBL3943867 0.85 NPC1 (0.35) XDHSLC22A12HCAR2
SCHEMBL3937021 0.84 MTNR1A (0.34) XDHSLC22A12HCAR2
SCHEMBL3936410 0.81 HCAR2 (0.40) XDHSLC22A12HCAR2
SCHEMBL3932022 0.81 TBK1 (0.38) XDHSLC22A12PARP1
SCHEMBL3940013 0.80 XDH (0.31) XDHSLC22A12HCAR2
SCHEMBL3934645 0.80 XDH (0.34) XDHSLC22A12PARP1

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 XDH 2680/4885SLC22A12 2358/4885PTPRC 4098/4885

“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.