SCHEMBL25834739

SCHEMBL25834739

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
MAOA P21397 1/20 0.46
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HKDC1 Q2TB90 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL25835312 1.00 MAPT (0.46) MAPTRAB9ANPC1HPGDTP53
SCHEMBL25834352 0.85 MEN1 (0.41) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL25834359 0.84 MAPT (0.42) MAPTRAB9AHPGDTP53SMN1; SMN2
SCHEMBL25834735 0.84 MAPT (0.42) MAPTRAB9AHPGDTP53SMN1; SMN2
SCHEMBL25834684 0.77 MAPT (0.51) MAPTRAB9ANPC1HPGDTP53
SCHEMBL25835314 0.77 MAPT (0.51) MAPTRAB9ANPC1HPGDTP53
SCHEMBL30884923 0.73 KMT2A (0.43) MAPTRAB9ANPC1HPGDTP53
SCHEMBL25834666 0.72 ALDH1A1 (0.44) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL30117599 0.68 PDK2 (0.48) MAPTRAB9ANPC1HPGDKMT2A
SCHEMBL30117601 0.68 PDK2 (0.48) MAPTRAB9ANPC1HPGDKMT2A

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 2 patents. 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
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 425/4885NPC1 3027/4885

“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.