SCHEMBL6398366

SCHEMBL6398366

OCCCCCCc1c(O)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
GAA P10253 6/20 0.56
MAPT P10636 5/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
KMT2A Q03164 6/20 0.45
CYP2D6 P10635 2/20 0.45
HIF1A Q16665 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.44

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
SCHEMBL5898001 1.00 HSD17B10 (0.59) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29227179 0.93 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8398635 0.93 HSD17B10 (0.68) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4019720 0.87 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2000695 0.86 HSD17B10 (0.46) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30873471 0.85 HSD17B10 (0.68) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4313850 0.85 HSD17B10 (0.68) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9493799 0.85 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11493047 0.85 HSD17B10 (0.58) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6832911 0.85 HSD17B10 (0.58) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0119102-B1 IMAGE ENHANCEMENT OF PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-10-19 EP disclosed
EP-0047781-B1 DYE-FORMING DEVELOPERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-01-02 EP disclosed
EP-0119102-A2 Image enhancement of photothermographic elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-09-19 EP disclosed
US-4460681-A COLOR FORMING LAYERS, AND SOLVENT SOLUBLE BARRIE LAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-07-17 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 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 (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-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.