SCHEMBL17080955

SCHEMBL17080955

O=C(C#Cc1ccccc1)CC/C=C/c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 4/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
ADORA1 P30542 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 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
SCHEMBL17081319 0.87 PAM (0.46) MAOBCYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL19879808 0.80 CYP1A2 (0.44) MAOBGRIK1GRIK2CYP1A2CYP2C9
SCHEMBL17080954 0.80 CYP1A2 (0.44) MAOBGRIK1GRIK2CYP1A2CYP2C9
SCHEMBL25775983 0.80 CYP1A2 (0.56) MAOBGRIK1GRIK2CYP1A2CYP2C9
SCHEMBL17080952 0.78 GRIK1 (0.42) MAOBGRIK1GRIK2CYP1A2ALDH1A1
SCHEMBL1787322 0.75 CYP1A2 (0.50) MAOBGRIK1GRIK2CYP1A2CYP2C9
SCHEMBL18126612 0.74 CYP1A2 (0.53) MAOBGRIK1GRIK2CYP1A2CYP2C9
SCHEMBL17080951 0.72 CYP1A2 (0.50) MAOBGRIK1GRIK2CYP1A2CYP2C9
SCHEMBL30814276 0.72 CTBP2 (0.51) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL29162904 0.72 CTBP2 (0.51) ALDH1A1HPGDKMT2AMEN1SMN1; 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 MAOB 3406/4885GRIK1 2584/4885GRIK2 3261/4885

“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.