SCHEMBL503034

SCHEMBL503034

O=C1OC(=O)c2c(Br)c(Br)cc3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 11/20 0.53
CES1 P23141 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 2/20 0.37
TSHR P16473 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL29937612 0.79 TYMS (0.62) TYMSCES1ALOX15TDP1DHFR
SCHEMBL322393 0.79 TYMS (0.62) TYMSCES1ALOX15TDP1DHFR
SCHEMBL9995282 0.79 CES1 (0.57) TYMSCES1NPSR1DHFRCYP1B1
SCHEMBL2594282 0.79 TYMS (0.61) TYMSCES1ALOX15TDP1TSHR
SCHEMBL30694295 0.75 CES1 (0.41) TYMSCES1NPSR1DHFRCYP1B1
SCHEMBL3850862 0.75 NPSR1 (0.59) CES1NPSR1TDP1CYP1B1
SCHEMBL3682903 0.75 MAPK1 (0.46) CES1NPSR1TSHRCYP1B1
SCHEMBL580216 0.75 CES1 (0.65) TYMSCES1ALOX15TDP1TSHR
SCHEMBL127867 0.74 TSHR (0.54) TYMSALOX15TDP1TSHR
SCHEMBL29713398 0.74 TYMS (0.64) TYMSNPSR1CYP1B1

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 9 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
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 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 TYMS 3057/4885CES1 4127/4885NPSR1 2829/4885

“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.