SCHEMBL8773134

SCHEMBL8773134

O=C1C=CC(=O)c2cc(Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.58
PPOX P50336 1/20 0.52
PTPN11 Q06124 1/20 0.52
HSP90AA1 P07900 1/20 0.48
CDC25B P30305 2/20 0.48
IDO1 P14902 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
AKT1 P31749 1/20 0.48
SNCA P37840 1/20 0.48
MAP2K1 Q02750 1/20 0.48
PIN1 Q13526 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
NSD1 Q96L73 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
CDC25A P30304 4/20 0.45
CDC25C P30307 4/20 0.45
CES1 P23141 2/20 0.42
TGM2 P21980 1/20 0.42
CHEK1 O14757 1/20 0.39

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
SCHEMBL7646750 0.81 S100A4 (0.48) S100A4PPOXPTPN11HSP90AA1CDC25B
SCHEMBL14244621 0.81 PTPN11 (0.48) S100A4PPOXPTPN11HSP90AA1CDC25B
SCHEMBL27633009 0.79 S100A4 (0.46) S100A4PPOXPTPN11HSP90AA1CDC25B
SCHEMBL29581505 0.74 S100A4 (0.71) S100A4PPOXPTPN11HSP90AA1CDC25B
SCHEMBL353693 0.74 S100A4 (0.80) S100A4PPOXHSP90AA1CDC25BIDO1
SCHEMBL1133148 0.74 S100A4 (0.90) S100A4PPOXHSP90AA1MAOAMAOB
SCHEMBL4229683 0.74 S100A4 (0.80) S100A4PPOXHSP90AA1CDC25BIDO1
SCHEMBL4319897 0.74 S100A4 (0.71) S100A4PPOXPTPN11HSP90AA1CDC25B
SCHEMBL30345128 0.74 S100A4 (0.90) S100A4PPOXHSP90AA1MAOAMAOB
SCHEMBL2599342 0.74 S100A4 (1.00) S100A4PPOXHSP90AA1CES1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756717-A Tolvaptan intermediate and preparation method of tollvaptan 广州市桐晖药业有限公司 2024-03-26 CN claimed
US-4460674-A GALLIC ACID DERIVATIVES AND NAPOHTHOQUINONES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-07-17 US claimed
US-20240380007-A1 ANTHRAQUINONE COMPOUND-CONTAINING NON-AQUEOUS ELECTROLYTE SOLUTION AND SECONDARY BATTERY INCLUDING THE SAME AIR WATER PERFORMANCE CHEMICAL INC. (JP) 2024-11-14 US disclosed
CN-117756717-A Tolvaptan intermediate and preparation method of tollvaptan 广州市桐晖药业有限公司 2024-03-26 CN disclosed
CN-117581407-A Nonaqueous electrolyte containing anthraquinone compound and secondary battery comprising same 爱沃特高能化工株式会社 2024-02-20 CN disclosed
US-11767308-B2 Method of stabilizing perfluorodioxolane compound, perfluorodioxolane compound-containing composition and method of producing perfluorodioxolane compound polymer TOSOH CORPORATION (JP) 2023-09-26 US disclosed
US-11767308-B2 Method of stabilizing perfluorodioxolane compound, perfluorodioxolane compound-containing composition and method of producing perfluorodioxolane compound polymer TOSOH CORPORATION (JP) 2023-09-26 US disclosed
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
WO-2023032362-A1 NONAQUEOUS ELECTROLYTIC SOLUTION CONTAINING ANTHRAQUINONE COMPOUND AND SECONDARY BATTERY INCLUDING SAME エア・ウォーター・パフォーマンスケミカル株式会社 2023-03-09 WO disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
EP-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
US-4460674-A GALLIC ACID DERIVATIVES AND NAPOHTHOQUINONES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-07-17 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed
US-4442127-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1984-04-10 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 (3 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-11767308-B2 Method of stabilizing perfluorodioxolane compound, perfluorodioxolane compound-containing composition and method of producing perfluorodioxolane compound polymer PFAS, PFN1, PFKFB1 S100A4 3598/4885PPOX 159/4885PTPN11 823/4885
US-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC S100A4 1775/4885PPOX 1/4885PTPN11 3015/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC S100A4 1775/4885PPOX 1/4885PTPN11 3015/4885

“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.