SCHEMBL5401236

SCHEMBL5401236

Brc1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
MAPT P10636 2/20 0.56
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.50
PYCR1 P32322 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GRM5 P41594 1/20 0.46
FFAR1 O14842 4/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL651586 1.00 APP (0.67) APPMAPTALDH1A1TDP1MAPK1
Diphenylacetylene SCHEMBL28746878 0.92 APP (0.71) APPMAPTALDH1A1TDP1MAPK1
SCHEMBL20015760 0.88 CYP2A6 (0.57) APPMAPTALDH1A1TDP1MAPK1
SCHEMBL1246271 0.88 CYP2A6 (0.57) APPMAPTALDH1A1TDP1MAPK1
SCHEMBL30822820 0.87 APP (0.50) APPMAPTALDH1A1TDP1MAPK1
SCHEMBL2114741 0.85 APP (0.92) APPMAPTALDH1A1CA12CA1
Diphenylacetylene SCHEMBL960609 0.82 APP (1.00) APPMAPTALDH1A1CA12CA1
Diphenylacetylene SCHEMBL29188592 0.82 APP (1.00) APPMAPTALDH1A1CA12CA1
Diphenylacetylene SCHEMBL68254 0.82 APP (1.00) APPMAPTALDH1A1CA12CA1
SCHEMBL387788 0.80 APP (0.42) APPMAPTALDH1A1TDP1MAPK1

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 12 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-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-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US disclosed
EP-1373358-A4 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INT INC (US) 2005-03-16 EP disclosed
US-20040247896-A1 Organic compositions HONEYWELL INTERNATIONAL INC. 2004-12-09 US disclosed
EP-1461370-A1 ORGANIC COMPOSITIONS Honeywell International Inc. (US) 2004-09-29 EP disclosed
US-20040158024-A1 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. 2004-08-12 US disclosed
EP-1373358-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF Honeywell International, Inc. (US) 2004-01-02 EP disclosed
WO-2003057749-A1 ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 WO disclosed
WO-2002081546-A1 LOW DIELECTRIC CONSTANT MATERIALS AND METHODS OF PREPARATION THEREOF HONEYWELL INTERNATIONAL INC. (US) 2002-10-17 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-20100204485-A1 POLYACETYLINIC OLIGOMERS AADAC, ACMSD, ECPAS APP 3468/4885MAPT 1019/4885ALDH1A1 495/4885

“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.