SCHEMBL3380571

SCHEMBL3380571

CC(=O)Oc1ccccc1C(=O)CCCCCCC(=O)NO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.75
HDAC8 Q9BY41 12/20 0.75
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC2 Q92769 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48

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
SCHEMBL3382183 0.86 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC4HDAC7
SCHEMBL3378708 0.84 PTGS2 (0.60) HDAC1HDAC8KDM4EALDH1A1ESR1
SCHEMBL3432284 0.80 ABCB1 (0.50) HDAC1HDAC8KDM4EALDH1A1ESR1
SCHEMBL12248113 0.77 PTGS2 (0.61) KDM4EALDH1A1ESR1ITGB3ITGA2B
SCHEMBL13425194 0.77 HDAC1 (0.61) HDAC1HDAC8KDM4EHDAC2HDAC4
SCHEMBL13783910 0.76 HDAC1 (0.64) HDAC1HDAC8KDM4EHDAC2HDAC4
SCHEMBL13425200 0.75 HDAC1 (0.56) HDAC1HDAC8KDM4EHDAC2HDAC4
SCHEMBL10457143 0.74 PTGS2 (0.66) KDM4EALDH1A1ESR1ITGB3ITGA2B
SCHEMBL13425197 0.74 HDAC1 (0.54) HDAC1HDAC8KDM4EALDH1A1TSHR
SCHEMBL5302217 0.74 KDM4E (0.65) KDM4EALDH1A1ESR1ITGB3ITGA2B

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-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885KDM4E 123/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885KDM4E 123/4885

“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.