SCHEMBL9178172

SCHEMBL9178172

COc1ccc2c(c1)C(=O)C=C(O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
LCK P06239 3/20 0.48
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
GAPDH P04406 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
USP8 P40818 1/20 0.43

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
SCHEMBL30003052 1.00 PTPN1 (0.49) PTPN1ESR1ESR2CA1CA2
SCHEMBL29406983 0.93 PTPN1 (0.53) PTPN1ESR1ESR2CA1CA2
SCHEMBL4294055 0.93 PTPN1 (0.53) PTPN1ESR1ESR2CA1CA2
SCHEMBL5822222 0.81 IDO1 (0.62) PTPN1ESR1ESR2CA1CA2
SCHEMBL30002619 0.81 ALDH1A1 (0.53) PTPN1ESR1ESR2CA1CA2
SCHEMBL12760759 0.81 ALDH1A1 (0.53) PTPN1ESR1ESR2CA1CA2
SCHEMBL30003084 0.81 IDO1 (0.62) PTPN1ESR1ESR2CA1CA2
SCHEMBL23271902 0.79 PTPN1 (0.49) PTPN1ESR1ESR2CA1CA2
SCHEMBL9628296 0.79 PTPN1 (0.49) PTPN1ESR1ESR2CA1CA2
SCHEMBL30004078 0.79 PTPN1 (0.49) PTPN1ESR1ESR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498707-B1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent OREAL (FR) 1995-08-02 EP claimed
EP-0498707-A1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent L'OREAL (FR) 1992-08-12 EP claimed
US-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 US claimed
CN-117105894-A Preparation method and application of cryptotanshinone compound 中国人民解放军海军军医大学 2023-11-24 CN disclosed
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
CN-110891980-A Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2020-03-17 CN disclosed
EP-2978749-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'Oréal (FR) 2016-02-03 EP disclosed
WO-2014155016-A1 OPTIONALLY PROTECTED IRIDOID-DERIVED COMPOUNDS, COMPOSITION INCLUDING SAME, USE AS A DYE FOR KERATIN FIBRES AND DEVICES L'OREAL (FR) 2014-10-02 WO disclosed
WO-2014154871-A1 DYEING PROCESS USING AN IRIDOID COMPOUND AND DEVICES FOR THE SAME L'OREAL (FR) 2014-10-02 WO disclosed
WO-2013045702-A2 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A SPECIFIC NUCLEOPHILE OR AN AMINO OR THIO POLYMER, DYEING PROCESS, AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
WO-2013045701-A2 DYEING PROCESS USING A COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A NUCLEOPHILE OR AN AMINO OR THIO POLYMER, COMPOSITION AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
EP-0498707-B1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent OREAL (FR) 1995-08-02 EP disclosed
US-5275626-A Hair dyes L'OREAL (FR) 1994-01-04 US disclosed
EP-0498707-A1 Process of dyeing keratinous fibers with a mono- or di-hydroxyindole and a non-oxidative aromatic carbonyl derivative and dyeing agent L'OREAL (FR) 1992-08-12 EP disclosed
US-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 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 (2 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC PTPN1 1787/4885ESR1 3834/4885ESR2 3763/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC PTPN1 1787/4885ESR1 3834/4885ESR2 3763/4885

“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.