SCHEMBL6100016

SCHEMBL6100016

[c]1ccc(-c2ccccc2OC2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.54
PDE4A P27815 5/20 0.45
PDE4D Q08499 4/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE5A O76074 1/20 0.45
MCHR1 Q99705 2/20 0.38
EPHX2 P34913 1/20 0.37
CARM1 Q86X55 2/20 0.37
PRMT1 Q99873 2/20 0.37
CHEK1 O14757 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDK2 Q15119 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 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
SCHEMBL27522110 0.85 HRH1 (0.71) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL19829484 0.81 HRH1 (0.55) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL7227806 0.77 HRH1 (0.76) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL5344402 0.77 MCHR1 (0.49) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL2242864 0.75 MCHR1 (0.51) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL5179644 0.73 PDE4A (0.58) HRH1PDE4APDE4DPDE4BPDE4C
SCHEMBL8483634 0.72 PTGS2 (0.62) HRH1
SCHEMBL1836912 0.72 MAPK1 (0.36)
SCHEMBL533511 0.72 APP (0.48)
SCHEMBL534483 0.71 DRD1 (0.58) HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed

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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 HRH1 1872/4885PDE4A 1074/4885PDE4D 876/4885

“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.