SCHEMBL29245141

SCHEMBL29245141

COC(=O)c1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.77
▸ CA2 P00918 4/20 0.77
▸ MAPT P10636 5/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TP53 P04637 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ ATM Q13315 1/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ MRGPRX1 Q96LB2 1/20 0.67
▸ RAB9A P51151 7/20 0.62
▸ NPC1 O15118 6/20 0.62
▸ CA12 O43570 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ F2 P00734 1/20 0.60
▸ PPARA Q07869 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ MAOB P27338 1/20 0.56
▸ NR4A1 P22736 1/20 0.55

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
SCHEMBL15761771 0.96 CA1 (0.70) CA1CA2MAPTMEN1KMT2A
SCHEMBL11255125 0.89 MAPT (0.64) CA1CA2MAPTMEN1KMT2A
SCHEMBL17602252 0.88 MAOB (0.74) CA1CA2MAPTMEN1KMT2A
SCHEMBL11253865 0.88 MAPT (0.74) CA1CA2MAPTMEN1KMT2A
SCHEMBL18415526 0.88 CA1 (1.00) CA1CA2MAPTMEN1KMT2A
SCHEMBL978502 0.88 RAB9A (0.71) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15755152 0.86 FFAR1 (0.69) CA1CA2MAPTMEN1KMT2A
SCHEMBL15761770 0.86 HIF1A (0.65) CA1CA2MAPTMEN1KMT2A
SCHEMBL9335386 0.85 RAB9A (0.60) CA1CA2MAPTMEN1KMT2A
SCHEMBL6162284 0.85 SMN1; SMN2 (0.79) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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-20240398823-A1 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 TAIPEI MEDICAL UNIVERSITY (TW) 2024-12-05 — — US disclosed
CN-118302401-A Dual inhibitors of histone deacetylase 6 and heat shock protein 90 台北医学大学 2024-07-05 — — 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-20240398823-A1 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 HSP90AB1, HDAC6, HSP90AB2P CA1 2611/4885CA2 2289/4885MAPT 1544/4885

“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.

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