SCHEMBL25834309

SCHEMBL25834309

O=C1C=CC(=O)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.56
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
PTGER1 P34995 3/20 0.46
HTT P42858 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
POLM Q9NP87 1/20 0.44
POLK Q9UBT6 1/20 0.44
POLL Q9UGP5 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
SCHEMBL27759840 0.84 MAPT (0.50) TOP1MAPTMAPK1TDP1L3MBTL1
SCHEMBL16072720 0.81 KCNA3 (0.58) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL9173435 0.80 KCNA3 (0.56) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL9754264 0.79 KCNA3 (0.63) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL8216313 0.78 MAPT (0.69) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL24194098 0.78 TOP1 (0.66) TOP1MAPTMAPK1TDP1L3MBTL1
SCHEMBL30574283 0.78 TOP1 (0.66) TOP1MAPTMAPK1TDP1L3MBTL1
SCHEMBL30660808 0.77 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL5838519 0.77 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL8599835 0.76 MAOA (0.54) MAPTMAPK1TDP1L3MBTL1MAOB

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
CN-113368087-A Juglone derivatives and application thereof in preparation of drugs for treating brain tumors through chemotherapy 复旦大学附属华山医院 2021-09-10 CN claimed
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
CN-113368087-A Juglone derivatives and application thereof in preparation of drugs for treating brain tumors through chemotherapy 复旦大学附属华山医院 2021-09-10 CN 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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 TOP1 1011/4885MAPT 736/4885MAPK1 2680/4885

“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.