SCHEMBL10035484

SCHEMBL10035484

CN1C(=O)c2cc(C#Cc3ccccc3)c(C#Cc3ccccc3)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.47
APP P05067 2/20 0.46
CASP3 P42574 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL83864 0.84 GRM5 (0.60) GRM5APPCASP3MEN1ALDH1A1
SCHEMBL13741752 0.76 GRM5 (0.49) GRM5APPKDM4EMEN1NPC1
SCHEMBL1195805 0.73 APP (0.71) GRM5APPKDM4EMEN1NPC1
SCHEMBL15326995 0.73 ALDH1A1 (0.53) GRM5APPCASP3KDM4EMEN1
SCHEMBL21028368 0.72 VCP (0.57) GRM5APPMEN1ALDH1A1MAPT
SCHEMBL22242553 0.72 GRM5 (0.54) GRM5APP
SCHEMBL21609610 0.71 CHAT (0.46) GRM5APPCASP3KDM4EMEN1
SCHEMBL23980507 0.71 APP (0.56) GRM5APPMEN1ALDH1A1MAPT
SCHEMBL12552816 0.70 CASP3 (0.56) APPCASP3MEN1ALDH1A1MAPT
SCHEMBL13746830 0.69 GRM5 (0.42) GRM5APPKDM4EMEN1NPC1

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-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
US-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
US-8063168-B2 Oligomers with di-phenylethynyl endcaps THE BOEING COMPANY (US) 2011-11-22 US disclosed
US-8063168-B2 Oligomers with di-phenylethynyl endcaps THE BOEING COMPANY (US) 2011-11-22 US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 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-20100204485-A1 POLYACETYLINIC OLIGOMERS AADAC, ACMSD, ECPAS GRM5 2565/4885APP 3468/4885CASP3 4289/4885

“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.