SCHEMBL503035

SCHEMBL503035

O=C(OC(=O)c1c(Br)c(Br)cc2ccccc12)c1c(Br)c(Br)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C19 P33261 2/20 0.47
GLA P06280 1/20 0.47
CYP2C9 P11712 1/20 0.38
NCEH1 Q6PIU2 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL9273082 0.83 MEN1 (0.58) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL6940992 0.81 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL31240530 0.81 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5457127 0.79 NCEH1 (0.42) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL27717730 0.75 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10829102 0.74 NCEH1 (0.33) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL1694540 0.73 MEN1 (0.68) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10771128 0.72 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL28284977 0.72 CA12 (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL28207840 0.71 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438106-B1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS BOEING CO (US) 2015-03-11 EP disclosed
EP-2438106-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS The Boeing Company (US) 2012-04-11 EP 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
WO-2010141106-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY (US) 2010-12-09 WO disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS 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 ALDH1A1 495/4885HPGD 1829/4885MEN1 4503/4885

“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.