SCHEMBL4075840

SCHEMBL4075840

CC(Cc1ccc[nH]c1=O)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
MCL1 Q07820 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
CDK2 P24941 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR9 P51686 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
ROCK2 O75116 2/20 0.30

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
Monoethanolamine SCHEMBL28842493 0.90 DAO (0.33) DAOAURKAAURKBINCENPNAPRT
SCHEMBL14983880 0.79 GABRA1 (0.45) DAOAURKAAURKBINCENPMCL1
SCHEMBL12775702 0.75 DAO (0.42) DAOAURKAAURKBINCENPMCL1
SCHEMBL9752589 0.75 DAO (0.47) DAOAURKAAURKBINCENPMCL1
SCHEMBL5942953 0.72 AURKA (0.47) DAOAURKAAURKBINCENPMCL1
SCHEMBL9752558 0.71 DAO (0.42) DAOAURKAAURKBINCENPMCL1
SCHEMBL14214474 0.71 DAO (0.35) DAOAURKAAURKBINCENPMCL1
SCHEMBL797191 0.70
SCHEMBL5685566 0.70
SCHEMBL11212617 0.70 GABRA1 (0.59) BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106551931-A Purposes of the 1- hydroxyl -2- pyridine compounds on oral keritonocytes medicine is prepared 张梦兮 2017-04-05 CN claimed
US-20240009100-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR PROCTER & GAMBLE (US) 2024-01-11 US disclosed
US-11801213-B2 Hair care compositions comprising a 2-pyridinol-N-oxide material and an iron chelator THE PROCTER & GAMBLE COMPANY (US) 2023-10-31 US disclosed
US-20220387280-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR PROCTER & GAMBLE (US) 2022-12-08 US disclosed
CN-110087627-A Composition comprising at least two anionic surfactants, nonionic surfactant and amphoteric surfactant and at least one dandruff removing agent 莱雅公司 2019-08-02 CN disclosed
CN-108430443-A Including anion surfactant, by weight at least 3.5% aliphatic acid and the cosmetic composition of dandruff removing agent 欧莱雅 2018-08-21 CN disclosed
CN-107468673-A Transdermal administration of memantine LTS勒曼治疗系统股份公司 2017-12-15 CN disclosed
US-20170172873-A1 PROPELLANT-FREE DEODORANTS AND/OR ANTIPERSPIRANTS HAVING SPECIFIC PRESERVATIVE-AGENT COMBINATIONS HENKEL AG & CO. KGAA (DE) 2017-06-22 US disclosed
CN-106551931-A Purposes of the 1- hydroxyl -2- pyridine compounds on oral keritonocytes medicine is prepared 张梦兮 2017-04-05 CN disclosed
CN-106551803-A Purposes of the piroctone class compound on the health-care products for preparing prevention oral keritonocytes 张梦兮 2017-04-05 CN disclosed
CN-102481273-B Antimicrobial aminosalicylic acid derivatives BASF SE (DE) 2016-11-30 CN disclosed
EP-2083873-A1 ABSORBENT ARTICLES COMPRISING AN ORGANIC ZINC SALT AND AN ANTI-BACTERIAL AGENT OR ALKALI METAL CHLORIDE OR ALKALINE EARTH METAL CHLORIDE SCA Hygiene Products AB (SE) 2009-08-05 EP disclosed
WO-2008058564-A1 ABSORBENT ARTICLES COMPRISING AN ORGANIC ZINC SALT AND AN ANTI-BACTERIAL AGENT OR ALKALI METAL CHLORIDE OR ALKALINE EARTH METAL CHLORIDE SCA HYGIENE PRODUCTS AB (SE) 2008-05-22 WO disclosed
EP-0226984-A1 Antimycotic nail varnish HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-01 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 (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-20240009100-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR PLOD1, DPM1, PNPO DAO 169/4885AURKA 858/4885AURKB 1920/4885
US-11801213-B2 Hair care compositions comprising a 2-pyridinol-N-oxide material and an iron chelator PLOD1, DPM1, PNPO DAO 169/4885AURKA 858/4885AURKB 1920/4885
US-20220387280-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR PLOD1, DPM1, PNPO DAO 169/4885AURKA 858/4885AURKB 1920/4885

“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.