SCHEMBL3562610

SCHEMBL3562610

COc1ccc(CNc2ccc(C3CC3C(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.70
▸ HIF1A Q16665 1/20 0.56
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MAOA P21397 2/20 0.48
▸ KDM1A O60341 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL13043493 0.86 FFAR1 (0.86) FFAR1HIF1AALDH1A1
SCHEMBL7001425 0.84 RAB9A (0.57) FFAR1KMT2ANPC1MAPTRAB9A
SCHEMBL18596476 0.84 RAB9A (0.57) FFAR1KMT2ANPC1MAPTRAB9A
SCHEMBL10289077 0.84 RAB9A (0.57) FFAR1KMT2ANPC1MAPTRAB9A
SCHEMBL432751 0.84 RAB9A (0.57) FFAR1KMT2ANPC1MAPTRAB9A
SCHEMBL3749297 0.83 FFAR1 (0.71) FFAR1KMT2AMEN1GAAMAPT
SCHEMBL13043524 0.83 FFAR1 (0.71) FFAR1KMT2AMEN1GAAMAPT
SCHEMBL3734035 0.82 FFAR1 (1.00) FFAR1KMT2AMEN1KDM1AALDH1A1
SCHEMBL13043487 0.82 FFAR1 (1.00) FFAR1KMT2AMEN1KDM1AALDH1A1
SCHEMBL15239296 0.80 FFAR1 (0.60) FFAR1HIF1AKMT2AMEN1GAA

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
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 — — US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 — — US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 — — 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 (2 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 FFAR1 4255/4885HIF1A 562/4885KMT2A 52/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 FFAR1 4255/4885HIF1A 562/4885KMT2A 52/4885

“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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