SCHEMBL17080952

SCHEMBL17080952

O=C(C#Cc1ccccc1)CC/C=C/c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GSR P00390 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
FFAR1 O14842 2/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL17081319 0.81 PAM (0.46) MAPTMAOBHDAC1HDAC8HDAC6
SCHEMBL19879764 0.80 GRIK1 (0.39) GRIK1GRIK2MAPTNPC1RAB9A
SCHEMBL17080953 0.80 GRIK1 (0.39) GRIK1GRIK2MAPTNPC1RAB9A
SCHEMBL18112877 0.79 GRIK1 (0.50) GRIK1GRIK2MAPTNPC1RAB9A
SCHEMBL18112878 0.79 GRIK1 (0.50) GRIK1GRIK2MAPTNPC1RAB9A
SCHEMBL17080955 0.78 MAOB (0.46) GRIK1GRIK2MAOBHDAC1HDAC8
SCHEMBL1788686 0.74 GSR (0.46) GRIK1GRIK2MAPTNPC1RAB9A
SCHEMBL7125844 0.74 NPSR1 (0.53) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17080950 0.71 MEN1 (0.43) GRIK1GRIK2MAPTNPC1RAB9A
SCHEMBL16803423 0.70 NPSR1 (0.50) MAPTNPC1RAB9ALMNASMN1; SMN2

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 GRIK1 2584/4885GRIK2 3261/4885MAPT 2209/4885

“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.