SCHEMBL4910366

SCHEMBL4910366

O=C1C(=O)c2cc3ccccc3cc2C=C1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.41
S100A4 P26447 4/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL8895041 0.97 CYP3A4 (0.40) PTPRCS100A4BCHEACHECES1
SCHEMBL6412225 0.80 CDC25B (0.46) PTPRCS100A4BCHEACHECES1
SCHEMBL8895903 0.75 PTPRC (0.33) PTPRCS100A4BCHEACHECES1
SCHEMBL4190455 0.75 S100A4 (0.49) PTPRCS100A4BCHEACHECES1
SCHEMBL227263 0.73 SLC2A1 (0.39) PTPRCS100A4BCHECES1ALDH1A1
SCHEMBL2059539 0.73 ALDH1A1 (0.38) PTPRCS100A4BCHECES1ALDH1A1
SCHEMBL30805652 0.73 GSTP1 (0.38) PTPRCS100A4BCHECES1ALDH1A1
SCHEMBL3132658 0.73 MEN1 (0.34) PTPRCS100A4BCHECES1ALDH1A1
SCHEMBL9473429 0.73 CDC25A (0.42) PTPRCS100A4BCHECES1ALDH1A1
SCHEMBL8960019 0.72 PTPN1 (0.46) PTPRCS100A4BCHECES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104898384-B Electrophtography photosensor 京瓷办公信息系统株式会社 2019-09-10 CN disclosed
CN-108752181-A The method that direct chlorination prepares high-purity 1- chloroanthraquinones 江苏亚邦染料股份有限公司 2018-11-06 CN disclosed
CN-108752180-A The method that photocatalysis chlorine direct chlorination prepares 1- chloroanthraquinones 江苏亚邦染料股份有限公司 2018-11-06 CN disclosed
US-8658433-B2 Dye compounds as photoactive agents MALLINCKRODT LLC (US) 2014-02-25 US disclosed
US-20080139786-A1 DYE COMPOUNDS AS PHOTOACTIVE AGENTS MALLINCKRODT, INC. (US) 2008-06-12 US disclosed
EP-0057382-B1 PROCESS FOR THE PREPARATION OF VAT DYES FROM THE WASTE PRODUCTS OF THE SYNTHESIS OF NITRO-ANTHRAQUINONE AND ANTHRAQUINONE SULFONIC ACID BAYER AG (DE) 1983-12-28 EP disclosed
EP-0057382-A2 Process for the preparation of vat dyes from the waste products of the synthesis of nitro-anthraquinone and anthraquinone sulfonic acid BAYER AG (DE) 1982-08-11 EP disclosed
US-4076736-A Preparation of aminoanthraquinones from nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 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-20080139786-A1 DYE COMPOUNDS AS PHOTOACTIVE AGENTS LOXL1, SULT1E1, QSOX1 PTPRC 912/4885S100A4 147/4885BCHE 3157/4885

“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.