SCHEMBL17080971

SCHEMBL17080971

CN(C)c1ccc2cc3c(cc2c1)CCC3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.42
APP P05067 1/20 0.42
PBRM1 Q86U86 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP26A1 O43174 1/20 0.37
MIF P14174 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC16A3 O15427 1/20 0.36
PSMB5 P28074 3/20 0.35
MAOB P27338 3/20 0.35
HSD17B1 P14061 1/20 0.35
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5444174 0.81 PBRM1 (0.53) TERTAPPPBRM1CASP1CASP7
SCHEMBL6776955 0.81 CASP1 (0.53) TERTAPPPBRM1CASP1CASP7
SCHEMBL6940637 0.75 CASP1 (0.52) PBRM1CASP1CASP7HSD17B10ALDH1A1
SCHEMBL30402712 0.75 CASP1 (0.52) PBRM1CASP1CASP7HSD17B10ALDH1A1
SCHEMBL17080960 0.75 VHL (0.45) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL3494397 0.73 ALDH1A1 (0.44) TERTAPPHSD17B10ALDH1A1SLC16A3
SCHEMBL4173477 0.73 TERT (0.42) TERTAPPHSD17B10ALDH1A1SLC16A3
SCHEMBL3994800 0.72 HSD17B1 (0.63) CASP1CASP7HSD17B10CYP26A1MIF
SCHEMBL12566471 0.72 TERT (0.64) TERTAPPHSD17B10ALDH1A1SLC16A3
SCHEMBL11872289 0.71 MAOB (0.56) CASP1CASP7HSD17B10ALDH1A1MAOB

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 TERT 601/4885APP 3571/4885PBRM1 3447/4885

“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.