SCHEMBL792987

SCHEMBL792987

COc1cccc(C=C[N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 1.00
TLR4 O00206 7/20 0.71
TLR2 O60603 7/20 0.71
TERT O14746 1/20 0.62
MAOA P21397 3/20 0.61
MAOB P27338 3/20 0.61
VCP P55072 2/20 0.59

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
SCHEMBL8765211 1.00 FBP1 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL31287227 1.00 FBP1 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL278627 1.00 FBP1 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL6540500 0.87 FBP1 (0.76) FBP1TLR4TLR2TERTMAOA
SCHEMBL6540497 0.87 FBP1 (0.76) FBP1TLR4TLR2TERTMAOA
SCHEMBL6278181 0.83 FBP1 (0.71) FBP1TLR4TLR2
SCHEMBL334577 0.82 FBP1 (0.70) FBP1TLR4TLR2VCP
SCHEMBL334578 0.82 FBP1 (0.70) FBP1TLR4TLR2VCP
SCHEMBL510714 0.82 TLR4 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL510715 0.82 TLR4 (1.00) FBP1TLR4TLR2TERTMAOA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277072-B A kind of preparation method of (E)-2-aryl vinyl phosphate derivatives JIANGSU CHINASUN SPECIALTY PRODUCTS CO.,LTD. (CN) 2016-04-13 CN claimed
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 EP claimed
CN-104277072-A Method for preparing (E)-2-aryl vinyl phosphonate derivatives CHINASUN SPECIALTY PRODUCTS CO LTD 2015-01-14 CN claimed
CN-107188771-B Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2021-08-24 CN disclosed
WO-2020212697-A1 INHIBITOR COMPOUNDS Azeria Therapeutics Limited (GB) 2020-10-22 WO disclosed
US-9956191-B2 Composition of 5-nitrobenzoate derivatives as anti-metastatic agent that inhibits tumor cell-induced platelet aggregation UNIV CHANG GUNG (TW) 2018-05-01 US disclosed
CN-107827774-A Nitrosamine compound containing two fluoro ethyls and preparation method thereof 遵义医学院 2018-03-23 CN disclosed
US-20170172949-A1 COMPOSITION OF 5-NITROBENZOATE DERIVATIVES AS ANTI-METASTATIC AGENT THAT INHIBITS TUMOR CELL-INDUCED PLATELET AGGREGATION CHANG GUNG UNIVERSITY (TW) 2017-06-22 US disclosed
US-9604910-B2 Composition of 5-nitrobenzoate derivatives as anti-metastatic agent that inhibits tumor cell-induced platelet aggregation CHANG GUNG UNIVERSITY (TW) 2017-03-28 US disclosed
CN-104277072-B A kind of preparation method of (E)-2-aryl vinyl phosphate derivatives JIANGSU CHINASUN SPECIALTY PRODUCTS CO.,LTD. (CN) 2016-04-13 CN disclosed
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed
EP-0513174-A1 4,5-CYCLOALKANO-3-BENZAZEPIN-7-OL-DERIVATIVES AND THEIR USE. SCHERING CORP (US) 1992-11-19 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed
WO-1991011437-A1 4,5-CYCLOALKANO-3-BENZAZEPIN-7-OL-DERIVATIVES AND THEIR USE SCHERING CORPORATION (US) 1991-08-08 WO disclosed
US-4820734-A ANALGESICS,ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-04-11 US disclosed
EP-0138030-B1 PHENYLETHYLAMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-30 EP disclosed
EP-0138030-A2 Phenylethylamine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-04-24 EP disclosed
EP-0028959-B1 5,8,13,13A-TETRAHYDRO-6H-DIBENZO(A,G)QUINOLIZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM U.R.P.H.A. (FR) 1985-01-30 EP disclosed
EP-0028959-A1 5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine derivatives, process for their preparation and pharmaceutical compositions containing them U.R.P.H.A. (FR) 1981-05-20 EP 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-20170172949-A1 COMPOSITION OF 5-NITROBENZOATE DERIVATIVES AS ANTI-METASTATIC AGENT THAT INHIBITS TUMOR CELL-INDUCED PLATELET AGGREGATION PTAFR, PF4, F11 FBP1 2532/4885TLR4 3428/4885TLR2 4737/4885

“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.