SCHEMBL6465406

SCHEMBL6465406

CCCCCCCCCCOC(=O)C=CC#N.CCCCOC(=O)C=CC#N

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
HCAR2 Q8TDS4 3/20 0.62
TSHR P16473 3/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.47
APP P05067 4/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL19579380 1.00 ATM (0.63) ATMHCAR2TSHRHPGDMAPT
SCHEMBL15229292 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL29892 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL2906298 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL29341 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL3457992 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL8380051 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL1452757 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL2903635 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT
SCHEMBL35541 0.98 HCAR2 (0.64) ATMHCAR2TSHRHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042196-A1 Antimicrobial phenol containing cyanoacrylate compositions ASKILL IAN (US) 2005-02-24 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-20050042196-A1 Antimicrobial phenol containing cyanoacrylate compositions CUTA, ACMSD, PYCARD ATM 4465/4885HCAR2 811/4885TSHR 4863/4885

“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.