SCHEMBL17080935

SCHEMBL17080935

CON(C)C(=O)CC/C=C/c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
PTGS2 P35354 1/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL17080936 0.86 NPC1 (0.46) RAB9APTGS2NPC1ALDH1A1LMNA
SCHEMBL8101853 0.85 PYGL (0.43) PTGS2GRIK1GRIK2
SCHEMBL7651688 0.76 CYP1A2 (0.47) RAB9APTGS2NPC1ALDH1A1LMNA
SCHEMBL7651686 0.76 CYP1A2 (0.47) RAB9APTGS2NPC1ALDH1A1LMNA
SCHEMBL1906448 0.75 RAB9A (0.49) RAB9APKMALDH1A1HTTMEN1
SCHEMBL29260522 0.75 PTGS2 (0.55) RAB9APKMPTGS2NPC1ALDH1A1
SCHEMBL5677328 0.74 RAB9A (0.58) RAB9APKMNPC1ALDH1A1LMNA
SCHEMBL5677325 0.74 RAB9A (0.58) RAB9APKMNPC1ALDH1A1LMNA
SCHEMBL20906393 0.73 CNR1 (0.35)
SCHEMBL31275116 0.73 CNR1 (0.35)

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 RAB9A 2096/4885PKM 3946/4885PTGS2 4272/4885

“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.