SCHEMBL6236495

SCHEMBL6236495

O=C1C=Cc2cc(C(=O)c3ccccc3)ccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 6/20 1.00
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
BCHE P06276 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
IDO1 P14902 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN1 P18031 1/20 0.50
ACHE P22303 1/20 0.50
CES1 P23141 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN22 Q9Y2R2 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
Benzophenone SCHEMBL27634639 0.85 PTPRC (0.73) PTPRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL9320769 0.77 PTPRC (0.62) PTPRCALDH1A1MEN1KMT2ALMNA
SCHEMBL13849150 0.75 TTR (0.63) PTPRCALDH1A1MEN1KMT2ALMNA
1,2-Naphthoquinone SCHEMBL6131201 0.75 PTPRC (0.59) PTPRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL6231632 0.74 PTPRC (1.00) PTPRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL27560697 0.74 TTR (0.72) PTPRCALDH1A1MEN1KMT2ALMNA
1,2-Naphthoquinone SCHEMBL28756423 0.73 ALDH1A1 (0.57) PTPRCALDH1A1MEN1KMT2AKDM4E
Benzophenone SCHEMBL9244919 0.73 ALDH1A1 (0.64) PTPRCALDH1A1MEN1KMT2AKDM4E
SCHEMBL27368640 0.72 PTPRC (0.56) PTPRCMEN1KMT2AKDM4EPOLB
Naphthoquinone SCHEMBL10797978 0.71 PTPRC (0.55) PTPRCALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 US disclosed
EP-1259231-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001045681-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 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 (1 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-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPRC 1/4885ALDH1A1 211/4885MEN1 4272/4885

“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.