SCHEMBL4844706

SCHEMBL4844706

[C]#Cc1ccccc1C#Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
NPC1 O15118 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 4/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 3/20 0.47
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GRM5 P41594 2/20 0.41
CYP2D6 P10635 2/20 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
SCHEMBL2114742 0.87 APP (0.75) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL5871989 0.87 APP (0.75) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL7835738 0.81 NPC1 (0.47) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL5475379 0.79 TSHR (0.35) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL28684400 0.77 APP (0.67) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL2747094 0.76 APP (0.57) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL15009036 0.76 APP (0.57) APPNPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL10437173 0.76 APP (0.57) APPNPC1ALDH1A1CYP1A2CYP3A4
Diphenylacetylene SCHEMBL960609 0.76 APP (1.00) APPNPC1ALDH1A1CYP1A2CYP3A4
Diphenylacetylene SCHEMBL29188592 0.76 APP (1.00) APPNPC1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381850-B2 Multifunctional unsymmetrically substituted monomers and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2008-06-03 US disclosed
US-20060267000-A1 Multifunctional unsymmetrically substituted monomers and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES INC. 2006-11-30 US disclosed
EP-1542869-A4 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2005-06-22 EP disclosed
EP-1542869-A2 MOLECULAR SCALE ELECTRONIC DEVICES Yale University (US) 2005-06-22 EP disclosed
WO-2004089862-A2 MULTIFUNCTIONAL UNSYMMETRICALLY SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO disclosed
US-6756605-B1 Molecular scale electronic devices YALE UNIVERSITY 2004-06-29 US disclosed
WO-2001027972-A9 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2002-11-14 WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 WO 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-20060267000-A1 Multifunctional unsymmetrically substituted monomers and polyarylene compositions therefrom WASF2, DDT, CAD APP 2993/4885NPC1 4867/4885ALDH1A1 1809/4885

“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.