SCHEMBL18347702

SCHEMBL18347702

O=C(Cc1ccccc1)Nc1ccc(OC(=O)Cc2ccccc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GALR3 O60755 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 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
SCHEMBL11900441 0.80 ALDH1A1 (0.70) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL18347689 0.77 ALDH1A1 (0.47) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL18347722 0.76 RAB9A (0.43) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL18347704 0.75 POLB (0.52) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL18347711 0.74 SMN1; SMN2 (0.51) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL3290432 0.73 HSD17B10 (0.56) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL27841831 0.73 POLB (0.68) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL10573912 0.73 MAPK1 (0.61) ALDH1A1HPGDKMT2ASMN1; SMN2ATM
SCHEMBL18347723 0.73 L3MBTL1 (0.47) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL6169172 0.69 MEN1 (0.83) ALDH1A1HPGDGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766882-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM CO., LTD. (KR) 2020-09-08 US disclosed
US-9975883-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM. CO., LTD. (KR) 2018-05-22 US disclosed
US-9975883-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM. CO., LTD. (KR) 2018-05-22 US disclosed
US-20160376258-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 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 (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-10766882-B2 1,2-naphthoquinone based derivative and method of preparing the same CYP2S1, GYS2, SLC5A1 ALDH1A1 688/4885HPGD 686/4885GAA 983/4885
US-20160376258-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, GYS2, SLC5A1 ALDH1A1 688/4885HPGD 686/4885GAA 983/4885

“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.