SCHEMBL6405225

SCHEMBL6405225

Oc1ccc2ccccc2c1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.78
CYP1A2 P05177 4/20 0.78
CYP2C9 P11712 3/20 0.78
CYP2C19 P33261 3/20 0.78
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 6/20 0.61
MAPT P10636 6/20 0.61
GAA P10253 4/20 0.61
TAAR1 Q96RJ0 1/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 2/20 0.61
GLA P06280 1/20 0.61
TDP1 Q9NUW8 4/20 0.56
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
MEN1 O00255 1/20 0.51
HIF1A Q16665 3/20 0.50
CYP2D6 P10635 2/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
CRHBP P24387 1/20 0.50

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
Dimethylamine SCHEMBL6231854 0.95 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
Acetic Acid SCHEMBL28256456 0.92 HSD17B10 (0.66) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL25528714 0.89 HSD17B10 (0.72) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29357214 0.88 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL36762 0.88 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL27657488 0.81 IDH1 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL26794966 0.81 HSD17B10 (0.85) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
1-Naphthol SCHEMBL9575454 0.81 CYP1A2 (0.85) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5134884 0.81 CYP1A2 (0.85) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL24953210 0.80 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124460-B Binaphthyl axis chiral ligand containing coordination unit, preparation method and application thereof 华东理工大学 2024-07-26 CN disclosed
CN-113999201-B Synthesis and preparation method of nicotine 成昌梅 2023-11-03 CN disclosed
CN-113999201-A Synthetic preparation method of nicotine 成昌梅 2022-02-01 CN disclosed
US-20160023978-A1 6-HYDROXY-2-NAPHTHALENYL FLUORENE DERIVATIVES AND LENS AND CAMERA MODULE USING THE SAME SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2016-01-28 US disclosed
US-20160023978-A1 6-HYDROXY-2-NAPHTHALENYL FLUORENE DERIVATIVES AND LENS AND CAMERA MODULE USING THE SAME SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2016-01-28 US disclosed
US-20160023978-A1 6-HYDROXY-2-NAPHTHALENYL FLUORENE DERIVATIVES AND LENS AND CAMERA MODULE USING THE SAME SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2016-01-28 US disclosed
US-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2005-03-03 US disclosed
US-6838583-B2 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and the methods of using the same WARNER-LAMBERT COMPANY LLC (US) 2005-01-04 US disclosed
EP-1409443-A2 NON-HALOGENATED NAPHTHOL COMPOUNDS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY (US) 2004-04-21 EP disclosed
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-01-15 US disclosed
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER DAVID SCOTT (US) 2002-08-15 US disclosed
WO-2002050001-A2 NON-HALOGENATED NAPHTHOL COMPOUNDS AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME WARNER-LAMBERT COMPANY (US) 2002-06-27 WO disclosed
US-5179066-A THERMOSENSITIVE RECORDING MATERIAL YAMADA CHEMICAL CO., LTD. (JP) 1993-01-12 US disclosed
US-4644377-A Fluoran derivatives and recording material using the same FUJI PHOTO FILM CO., LTD. (JP) 1987-02-17 US disclosed
US-4514745-A Heat-sensitive recording material KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1985-04-30 US disclosed
EP-0010842-B1 POLYURETHANE FOAM AND METHOD OF PREPARATION THEREOF UNIROYAL LTD. (CA) 1983-09-21 EP disclosed
US-4209593-A Semi-flexible shock-absorbing polyurethane foam prepared from a triol, a compound having a single reactive hydrogen, an aromatic polyisocyanate, blowing agent, chain-extender and a catalyst UNIROYAL LTD. (CA) 1980-06-24 US disclosed
EP-0010842-A1 Polyurethane foam and method of preparation thereof UNIROYAL LTD. (CA) 1980-05-14 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-20160023978-A1 6-HYDROXY-2-NAPHTHALENYL FLUORENE DERIVATIVES AND LENS AND CAMERA MODULE USING THE SAME SUN2, UACA, HNF4A HSD17B10 782/4885CYP1A2 1361/4885CYP2C9 2242/4885
US-20050049306-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 HSD17B10 1497/4885CYP1A2 818/4885CYP2C9 714/4885
US-20040010046-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 HSD17B10 1497/4885CYP1A2 818/4885CYP2C9 714/4885
US-20020110530-A1 Non-halogenated naphthol compounds, antimicrobial compositions containing the same, and methods of using the same NPM1, NOC2L, NAF1 HSD17B10 1497/4885CYP1A2 818/4885CYP2C9 714/4885

“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.