SCHEMBL2071739

SCHEMBL2071739

COc1ccc2c([c]c(C)n2CC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 5/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ PLA2G2A P14555 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL2073237 0.83 AKR1B1 (0.46) KDM4EPLA2G2A
SCHEMBL18171825 0.77 GRM2 (0.51) ALDH1A1KDM4EMAPTCACNA1BMEN1
SCHEMBL2074880 0.75 MAPT (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4541878 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31324857 0.71 CDYL2 (0.63) —
SCHEMBL27033665 0.71 CDYL2 (0.63) —
SCHEMBL8360274 0.70 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AHPGDPLA2G2A
SCHEMBL17907984 0.70 KDM4E (0.41) ALDH1A1KDM4EMAPTCACNA1BHSD17B10
SCHEMBL17907985 0.70 KDM4E (0.41) ALDH1A1KDM4EMAPTCACNA1BHSD17B10
SCHEMBL4375652 0.69 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 — — EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 — — US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 — — US disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 — — EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 — — WO 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 ALDH1A1 422/4885KDM4E 757/4885MAPT 32/4885

“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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