SCHEMBL25835314

SCHEMBL25835314

COc1ccc([C@]2(O)C(=O)c3ccccc3C(=O)[C@H]2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 3/20 0.49
HPGD P15428 1/20 0.49
MAOA P21397 1/20 0.49
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
AGTR1 P30556 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL25834684 1.00 MAPT (0.51) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL25834356 0.85 MEN1 (0.46) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL25834681 0.85 MEN1 (0.46) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL25834638 0.83 ALDH1A1 (0.45) MAPTRAB9AKMT2AMAPK1TP53
SCHEMBL25835315 0.81 MEN1 (0.45) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL25834688 0.81 MEN1 (0.45) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL25835335 0.77 MAPT (0.48) MAPTKMT2AMAPK1MAOAALDH1A1
SCHEMBL25834779 0.77 MAPT (0.48) MAPTKMT2AMAPK1MAOAALDH1A1
SCHEMBL25834739 0.77 MAPT (0.46) MAPTRAB9AKMT2ANPC1MAPK1
SCHEMBL25835312 0.77 MAPT (0.46) MAPTRAB9AKMT2ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 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 (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 MAPT 736/4885RAB9A 425/4885KMT2A 1287/4885

“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.