SCHEMBL356088

SCHEMBL356088

CCCCOc1ccc(C(=O)NC2CCc3cc(C=O)ccc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 5/20 0.60
TAOK3 Q9H2K8 4/20 0.60
CNR2 P34972 1/20 0.53
KCNH2 Q12809 1/20 0.45
SCN9A Q15858 1/20 0.45
TP53 P04637 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL356087 1.00 TAOK1 (0.60) TAOK1TAOK3CNR2KCNH2SCN9A
SCHEMBL354944 0.87 MCHR1 (0.47) TAOK1TAOK3CNR2CA1CA2
SCHEMBL354945 0.87 MCHR1 (0.47) TAOK1TAOK3CNR2CA1CA2
SCHEMBL2813040 0.81 RAB9A (0.62) TP53
SCHEMBL2813850 0.81 RAB9A (0.62) TP53
SCHEMBL2813037 0.81 RAB9A (0.62) TP53
SCHEMBL10082902 0.80 TAOK3 (0.56) TAOK1TAOK3CNR2
SCHEMBL415259 0.79 MCHR1 (0.54)
SCHEMBL415260 0.79 MCHR1 (0.54)
SCHEMBL10082911 0.76 MCHR1 (0.57) TAOK1TAOK3CNR2KCNH2SCN9A

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-8841290-B2 Substituted tetrahydronaphthalenes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2014-09-23 US disclosed
US-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-19 US disclosed
EP-2396300-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2011-12-21 EP disclosed
WO-2010092153-A1 NEW SUBSTITUTED TETRAHYDRONAPTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI-AVENTIS (FR) 2010-08-19 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 (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-20120015936-A1 SUBSTITUTED TETRAHYDRONAPHTHALENES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS PAH, MCHR1, DHPS TAOK1 2034/4885TAOK3 1665/4885CNR2 56/4885

“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.