SCHEMBL503033

SCHEMBL503033

O=C1OC(=O)c2c1c(Br)c(Br)c1ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PGAM1 P18669 1/20 0.32
MAOA P21397 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL10895635 0.89 TSHR (0.59) TSHRALOX15TDP1ALDH1A1KDM4E
SCHEMBL6392102 0.81 ALOX15 (0.48) TSHRALOX15TDP1ALDH1A1KDM4E
SCHEMBL10829097 0.76 TSHR (0.50) TSHR
SCHEMBL194752 0.75 TSHR (1.00) TSHRALOX15TDP1ALDH1A1
SCHEMBL29376586 0.75 TSHR (1.00) TSHRALOX15TDP1ALDH1A1
SCHEMBL31037900 0.74 TYMS (0.46) TSHRALOX15TDP1
SCHEMBL22605624 0.74 TYMS (0.46) TSHRALOX15TDP1
Ammonia Solution, Strong SCHEMBL7773774 0.73 TSHR (0.94) TSHRALOX15TDP1ALDH1A1
SCHEMBL38664107 0.73 TSHR (0.94) TSHRALOX15TDP1ALDH1A1
Magnesium SCHEMBL31583965 0.73 TSHR (0.94) TSHRALOX15TDP1ALDH1A1

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-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

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 TSHR 4437/4885ALOX15 1581/4885TDP1 1544/4885

“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.