SCHEMBL4904796

SCHEMBL4904796

O=C1OC(=O)c2c(Br)cc3c4c(c(Br)cc1c24)C(=O)OC3=O.O=C1OC(=O)c2cc(Br)c3c4c(c(Br)cc1c24)C(=O)OC3=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TYMS P04818 1/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL127961 0.98 TSHR (0.41) TSHRALOX15TDP1TYMSALDH1A1
SCHEMBL127904 0.96 TSHR (0.42) TSHRALOX15TDP1TYMSALDH1A1
SCHEMBL29768809 0.96 TSHR (0.42) TSHRALOX15TDP1TYMSALDH1A1
SCHEMBL128103 0.92 TYMS (0.41) TSHRALOX15TDP1TYMSALDH1A1
SCHEMBL127148 0.92 TSHR (0.46) TSHRALOX15TDP1TYMS
SCHEMBL13713810 0.85 TSHR (0.34) TSHRALOX15TDP1TYMS
SCHEMBL12744260 0.80 ALOX15 (0.40) TSHRALOX15TDP1TYMSALDH1A1
SCHEMBL23193252 0.77 TSHR (0.32) TSHR
SCHEMBL855808 0.74 ALOX15 (0.48) TSHRALOX15TDP1TYMSALDH1A1
SCHEMBL195704 0.72 TSHR (0.52) TSHRALOX15TDP1TYMSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309728-B2 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF AKTIENGESELLSCHAFT (DE) 2012-11-13 US disclosed
US-8084603-B2 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors BASF SE (DE) 2008-12-04 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-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED TSHR 4522/4885ALOX15 2871/4885TDP1 4282/4885

“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.