SCHEMBL16879802

SCHEMBL16879802

CC(C)(C)c1nc2cc(O)c3ccccc3c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.50
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
GAA P10253 2/20 0.39
DYRK1A Q13627 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
MAPT P10636 2/20 0.37
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL18347797 0.84 ELANE (0.43) ELANEMYCMAXMAPTKDM4E
SCHEMBL16879525 0.78 ANTXR2 (0.52) ELANEKDM4EPOLBLMNARECQL
SCHEMBL28802289 0.77 ELANE (0.56) ELANEGAAMAPTKDM4EPOLB
SCHEMBL486571 0.77 ELANE (0.51) ELANEGAAMAPTKDM4EPOLB
SCHEMBL18347801 0.76 LMNA (0.44) ELANEGAAMAPTKDM4EPOLB
SCHEMBL18203564 0.75 MYC (0.42) MYCMAXGAADYRK1ATRPM4
SCHEMBL16879509 0.75 ELANE (0.43) ELANEMYCMAXGAADYRK1A
SCHEMBL16879508 0.73 ESR2 (0.55) ELANEMYCMAXKDM4EPOLB
SCHEMBL16879664 0.72 MAPT (0.43) ELANEMYCMAXGAADYRK1A
SCHEMBL16879428 0.72 MAPT (0.41) ELANEMYCMAXGAADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 US disclosed
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 US disclosed
EP-3091005-B1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME HUEN CO LTD (KR) 2020-11-11 EP disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 US disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 US disclosed
EP-3091005-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME KT&G Life Sciences Corporation (KR) 2016-11-09 EP disclosed
WO-2015102369-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME 주식회사 케이티앤지생명과학 2015-07-09 WO 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-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same UGT1A6, CYP2D6, SLC5A1 ELANE 3138/4885MYC 3668/4885MAX 3721/4885
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, SLC5A1, CYP2D6 ELANE 2931/4885MYC 3685/4885MAX 3552/4885

“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.