SCHEMBL4578983

SCHEMBL4578983

COC(=O)Cc1cccc(CCCC(O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.53
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LPAR1 Q92633 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP4F2 P78329 2/20 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
SCHEMBL15522921 0.88 CYP4F2 (0.54) KMT2AKDM4EALDH1A1LPAR1PPARG
SCHEMBL4579913 0.84 SLC7A5 (0.58) SLC7A5KMT2ALMNACYSLTR2CYSLTR1
SCHEMBL4394735 0.80 SLC7A5 (0.62) SLC7A5LMNAKDM4EALDH1A1HPGD
SCHEMBL1628160 0.79 CYP4A11 (0.57) SLC7A5KMT2ALMNAKDM4EALDH1A1
SCHEMBL14420121 0.79 SLC7A5 (0.55) SLC7A5ALDH1A1PPARGPPARACYP4F2
SCHEMBL12400239 0.78 SLC7A5 (0.68) SLC7A5LMNAKDM4EALDH1A1HPGD
SCHEMBL1630570 0.77 SLC7A5 (0.54) SLC7A5PPARGPPARACYP4F2CYP4A11
SCHEMBL4577916 0.77 CYP4A11 (0.64) SLC7A5KMT2AALDH1A1HPGDTSHR
SCHEMBL14820527 0.76 SLC7A5 (0.56) SLC7A5KMT2ALMNAKDM4EALDH1A1
SCHEMBL21839394 0.76 SLC7A5 (0.52) SLC7A5MEN1KMT2AALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 — — EP disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 — — EP disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 — — EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 — — WO disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 — — WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 SLC7A5 4003/4885MEN1 1848/4885KMT2A 36/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 SLC7A5 4003/4885MEN1 1848/4885KMT2A 36/4885

“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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