SCHEMBL4009767

SCHEMBL4009767

Cc1c(C#N)cccc1-c1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.47
AR P10275 1/20 0.46
NISCH Q9Y2I1 1/20 0.44
PDK2 Q15119 1/20 0.43
PTPN5 P54829 1/20 0.43
CLK4 Q9HAZ1 2/20 0.42
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
ADRA2C P18825 1/20 0.42
CHEK1 O14757 1/20 0.42
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ESR2 Q92731 1/20 0.40
ADORA2A P29274 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL4006127 0.92 ADRA2C (0.47) PGRARNISCHPDK2CLK4
SCHEMBL4506623 0.81 NISCH (0.49) NISCHGABRG2GABRB3GABRA5GABRA3
SCHEMBL20407070 0.81 PGR (0.49) PGRARPDK2PTPN5CLK4
SCHEMBL7626603 0.80 CLK4 (0.47) PGRARPTPN5CLK4XDH
SCHEMBL4443914 0.78 ALDH1A1 (0.52) PGRARPTPN5CLK4XDH
SCHEMBL27787243 0.77 CLK4 (0.63) PGRPTPN5CLK4XDHSLC22A12
SCHEMBL7450852 0.77 ESR2 (0.68) PGRARNISCHPTPN5ESR2
SCHEMBL20404905 0.77 PGR (0.46) PGRARPDK2PTPN5CLK4
SCHEMBL20396135 0.76 ADRA2C (0.57) PGRPDK2PTPN5CLK4XDH
SCHEMBL21189130 0.75 CLK4 (0.57) PGRPTPN5CLK4XDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-20050275341-A1 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-12-15 US 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-20050275341-A1 Coumarin compound XPO1, VKORC1, XPO5 PGR 2655/4885AR 2238/4885NISCH 89/4885

“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.