SCHEMBL8496409

SCHEMBL8496409

CCNCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.62
EPHX2 P34913 4/20 0.62
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
PLAAT3 P53816 2/20 0.50
PLAAT5 Q96KN8 2/20 0.50
PLAAT2 Q9NWW9 2/20 0.50
PLAAT4 Q9UL19 2/20 0.50
FFAR1 O14842 1/20 0.50
GAA P10253 1/20 0.50
SLC2A1 P11166 1/20 0.50
BCHE P06276 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL427538 0.83 LTA4H (0.59) LTA4HEPHX2FFAR1
SCHEMBL1406143 0.82 SIGMAR1 (0.64) GAAATMSIGMAR1
SCHEMBL8499156 0.82 LTA4H (0.82) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL9081140 0.82 LTA4H (0.82) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL1108563 0.81 TAAR1 (0.67) LTA4HEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL13973066 0.81 KDM4E (0.59) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL13886610 0.81 BCHE (0.74) BCHEMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27879511 0.81 LTA4H (0.57) LTA4HEPHX2FFAR1
Hydrochloric Acid SCHEMBL3739565 0.81 GAA (0.65) GAAMEN1KMT2AATMSIGMAR1
SCHEMBL10098558 0.80 LTA4H (0.68) LTA4HEPHX2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO 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 (2 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 LTA4H 1258/4885EPHX2 2219/4885OPRM1 4365/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 LTA4H 1170/4885EPHX2 1819/4885OPRM1 4130/4885

“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.