SCHEMBL4075835

SCHEMBL4075835

CC(Cn1ccccc1=O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PSMB1 P20618 2/20 0.38
PSMB5 P28074 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL2608934 0.78 PSMB1 (0.47) SMN1; SMN2NPC1MITFLMNATP53
SCHEMBL8247965 0.75 POLB (0.43) SMN1; SMN2NPC1MITFLMNATP53
SCHEMBL8243279 0.75 NPC1 (0.42) SMN1; SMN2NPC1MITFLMNATP53
SCHEMBL12250935 0.74 NPC1 (0.47) SMN1; SMN2NPC1MITFLMNATP53
SCHEMBL8242634 0.72 POLB (0.41) SMN1; SMN2NPC1MITFLMNATP53
SCHEMBL11613552 0.72 NPC1 (0.53) SMN1; SMN2NPC1MITFLMNATP53
Water SCHEMBL9752634 0.71 POLB (0.44) SMN1; SMN2NPC1MITFLMNATP53
SCHEMBL30969894 0.71 IDH1 (0.45)
SCHEMBL9752577 0.71 POLB (0.46) POLBNPSR1PSMB1PSMB5KDM4E
SCHEMBL9752710 0.71 POLB (0.46) SMN1; SMN2NPC1MITFLMNATP53

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 16 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
CN-107028790-A Sunscreen with reduced fabric staining caused by bis-ethylhexyloxyphenol methoxyphenyl triazine 拜尔斯道夫股份有限公司 2017-08-11 CN disclosed
CN-107019650-A Sunscreen with reduced fabric staining caused by 4- (tert-butyl) -4' -methoxydibenzoylmethane 拜尔斯道夫股份有限公司 2017-08-08 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-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-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-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 SMN1; SMN2 3533/4885NPC1 2329/4885MITF 730/4885
US-11801213-B2 Hair care compositions comprising a 2-pyridinol-N-oxide material and an iron chelator PLOD1, DPM1, PNPO SMN1; SMN2 3533/4885NPC1 2329/4885MITF 730/4885
US-20220387280-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR PLOD1, DPM1, PNPO SMN1; SMN2 3533/4885NPC1 2329/4885MITF 730/4885

“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.