SCHEMBL637237

SCHEMBL637237

CC(=O)OC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.63
CDC25B P30305 5/20 0.62
CDC25A P30304 4/20 0.62
IDO1 P14902 2/20 0.62
GAPDH P04406 1/20 0.54
PTPN1 P18031 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLIN1 O60240 1/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GSR P00390 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL30661169 1.00 S100A4 (0.63) S100A4CDC25BCDC25AIDO1GAPDH
Dodecane SCHEMBL11580698 0.89 S100A4 (0.53) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL14439324 0.86 PTPN1 (0.62) S100A4CDC25BCDC25AIDO1PTPN1
SCHEMBL14566869 0.83 GAPDH (0.58) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL16300544 0.83 S100A4 (0.60) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL5810487 0.80 MAPT (0.44) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL30749477 0.79 S100A4 (0.78) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL8142691 0.79 S100A4 (0.78) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL5816985 0.79 ALDH1A1 (0.52) S100A4CDC25BCDC25AIDO1GAPDH
SCHEMBL5822269 0.79 KDM4E (0.52) S100A4CDC25BCDC25AIDO1GAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NAT RECH SCIENT (FR) 2024-05-30 US disclosed
CN-117142938-A Method for preparing 1, 4-naphthoquinone compound by selectively oxidizing aromatic ketone 大连理工大学 2023-12-01 CN disclosed
EP-4053096-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre national de la recherche scientifique (FR) 2022-09-07 EP disclosed
EP-2152657-B1 PROCESS FOR THE PREPARATION OFTRANS-2,3-DISUBSTITUTED NAPHTHOQUINONES LABORATORIO CHIMICO INT SPA (IT) 2012-02-22 EP disclosed
US-7842840-B2 Process for the preparation of trans-2,3-disubstituted naphthoquinones LABORATORIO CHIMICO INTERNAZIONALE, S.P.A. (IT) 2010-11-30 US disclosed
CN-101844982-A Preparation method of 2-acetoxyl-1,4-naphthoquinone UNIV TIANJIN POLYTECHNIC 2010-09-29 CN disclosed
CN-101844982-A Preparation method of 2-acetoxyl-1,4-naphthoquinone UNIV TIANJIN POLYTECHNIC 2010-09-29 CN disclosed
US-20100137644-A1 Process for the preparation of trans-2,3-disubstituted naphthoquinones LABORATORIO CHIMICO INTERNAZIONALE, S.P.A. (IT) 2010-06-03 US disclosed
EP-2152657-A1 PROCESS FOR THE PREPARATION OFTRANS-2,3-DISUBSTITUTED NAPHTHOQUINONES Laboratorio Chimico Internazionale S.p.A. (IT) 2010-02-17 EP disclosed
WO-2008139290-A1 PROCESS FOR THE PREPARATION OFTRANS-2,3-DISUBSTITUTED NAPHTHOQUINONES LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2008-11-20 WO disclosed
US-6043286-A COMBATTING WHITE FLY OR LEPIDOPTERA PESTS BTG INTERNATIONAL LIMITED (GB) 2000-03-28 US disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed
EP-0802729-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 WO disclosed
WO-1996021354-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 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-20100137644-A1 Process for the preparation of trans-2,3-disubstituted naphthoquinones NQO1, POLQ, SQLE S100A4 4673/4885CDC25B 235/4885CDC25A 400/4885
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS H1-2, H1-3, H1-0 S100A4 2534/4885CDC25B 3693/4885CDC25A 4174/4885

“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.