SCHEMBL17080951

SCHEMBL17080951

CN(C)C(=O)CC/C=C/c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 1/20 0.50
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.42
KLF5 Q13887 2/20 0.42
HPGD P15428 2/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC1 P33527 2/20 0.41
FBP1 P09467 1/20 0.41
MEN1 O00255 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCC5 O15440 1/20 0.41
SLCO2B1 O94956 1/20 0.41
ABCB11 O95342 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41

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
SCHEMBL25775983 0.82 CYP1A2 (0.56) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL17080936 0.82 NPC1 (0.46) CYP1A2GRIK1GRIK2MAOBMAOA
SCHEMBL17080949 0.82 PAM (0.50) CYP1A2CYP2C9MAOBKMT2ACYP2D6
SCHEMBL1787322 0.77 CYP1A2 (0.50) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL18126612 0.77 CYP1A2 (0.53) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL20810529 0.76 TBXAS1 (0.37) ALDH1A1
SCHEMBL20810475 0.75 TBXAS1 (0.36) ALDH1A1
SCHEMBL17080954 0.75 CYP1A2 (0.44) CYP1A2CYP2C9GRIK1GRIK2MAOB
SCHEMBL2949409 0.74 CYP1A2 (0.67) CYP1A2CYP2C9MAOBMAOAHPGD
SCHEMBL5477544 0.74 CYP1A2 (0.67) CYP1A2CYP2C9MAOBMAOAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896479-B2 Functionalized naphthalene fluorophores Kay M. Brummond (US) 2018-02-20 US disclosed
US-9896479-B2 Functionalized naphthalene fluorophores Kay M. Brummond (US) 2018-02-20 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 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-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES NCL, SNW1, NEK1 CYP1A2 1298/4885CYP2C9 1646/4885GRIK1 2584/4885

“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.