SCHEMBL976245

SCHEMBL976245

O=C1C=C(O)C(=O)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
S100A4 P26447 2/20 0.52
PTPN1 P18031 1/20 0.44
PPOX P50336 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PTPN11 Q06124 1/20 0.40
USP8 P40818 2/20 0.39
USP7 Q93009 2/20 0.39
CES1 P23141 2/20 0.39
TGM2 P21980 1/20 0.39
ESR1 P03372 1/20 0.38
MAOA P21397 1/20 0.38
UGT1A1 P22309 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL30490 0.92 S100A4 (0.57) HSP90AA1S100A4PTPN1PPOXKDM4E
SCHEMBL8773066 0.80 S100A4 (0.56) HSP90AA1S100A4PTPN1PPOXPTPN11
SCHEMBL5811756 0.80 ESR2 (0.61) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL30004162 0.80 ESR2 (0.61) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL18992102 0.78 KDM4E (0.38) HSP90AA1S100A4KDM4EALDH1A1CYP3A4
SCHEMBL30003252 0.78 KDM4E (0.38) HSP90AA1S100A4KDM4EALDH1A1CYP3A4
SCHEMBL25379798 0.77 ALDH1A1 (0.52) S100A4PTPN1KDM4EALDH1A1CYP3A4
SCHEMBL9389370 0.77 BCL2 (0.58) S100A4KDM4EALDH1A1CYP3A4MAPT
SCHEMBL22785955 0.77 KDM4E (0.42) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL9627970 0.77 ALDH1A1 (0.57) HSP90AA1S100A4PTPN1PPOXKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534436-B1 Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel SHINETSU CHEMICAL CO (JP) 1996-08-14 EP claimed
US-5411675-A Mixtures of aromatic diamines, hydroxynaphthoquinone, acid and silica sol as antiscaling agents SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-02 US claimed
EP-0534436-A1 Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel Shin-Etsu Chemical Co., Ltd. (JP) 1993-03-31 EP claimed
EP-0007985-B1 6-CHLORO-2,3-DIHYDROXY-1,4-NAPHTHOQUINONE AND ITS 2,3-DIESTERS, AND THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1982-09-01 EP claimed
EP-0007985-A1 6-Chloro-2,3-dihydroxy-1,4-naphthoquinone and its 2,3-diesters, and their preparation SYNTEX (U.S.A.) INC. (US) 1980-02-20 EP claimed
JP-5194608-A None JP disclosed
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP disclosed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO disclosed
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed
EP-0007985-B1 6-CHLORO-2,3-DIHYDROXY-1,4-NAPHTHOQUINONE AND ITS 2,3-DIESTERS, AND THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1982-09-01 EP disclosed
US-4255405-A 2,3-DIESTERS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
EP-0007985-A1 6-Chloro-2,3-dihydroxy-1,4-naphthoquinone and its 2,3-diesters, and their preparation SYNTEX (U.S.A.) INC. (US) 1980-02-20 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 (4 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-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof NQO1, RECQL, ABCB1 HSP90AA1 1460/4885S100A4 2683/4885PTPN1 4468/4885
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF NQO1, RECQL, ABCB1 HSP90AA1 1460/4885S100A4 2683/4885PTPN1 4468/4885
US-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC HSP90AA1 2180/4885S100A4 1775/4885PTPN1 1787/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC HSP90AA1 2180/4885S100A4 1775/4885PTPN1 1787/4885

“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.