SCHEMBL3378708

SCHEMBL3378708

CC(=O)Oc1ccccc1C(=O)CCCCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.60
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ESR1 P03372 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HMGB1 P09429 1/20 0.58
TSHR P16473 1/20 0.58
GGT1 P19440 1/20 0.58
PTGS1 P23219 1/20 0.58
BLM P54132 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HDAC8 Q9BY41 2/20 0.52
HDAC1 Q13547 2/20 0.52

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
Palmitic Acid SCHEMBL17079878 0.84 PTGS2 (0.67) PTGS2KDM4EHSD17B10ALDH1A1HPGD
Behenic Acid SCHEMBL18241553 0.84 PTGS2 (0.67) PTGS2KDM4EHSD17B10ALDH1A1HPGD
Dodecanoate SCHEMBL17079885 0.84 PTGS2 (0.67) PTGS2KDM4EHSD17B10ALDH1A1HPGD
Stearic Acid SCHEMBL18587174 0.84 PTGS2 (0.67) PTGS2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3380571 0.84 HDAC1 (0.75) PTGS2KDM4EHSD17B10ALDH1A1HPGD
Aspirin SCHEMBL8993474 0.84 PTGS2 (0.67) PTGS2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3432284 0.83 ABCB1 (0.50) PTGS2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL27688476 0.83 HDAC8 (0.68) ALDH1A1HPGDLMNAHDAC8HDAC1
SCHEMBL23220252 0.82 ALDH1A1 (0.70) PTGS2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29234670 0.82 ALDH1A1 (0.70) PTGS2KDM4EHSD17B10ALDH1A1HPGD

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 7 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
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 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 (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 PTGS2 2854/4885KDM4E 123/4885HSD17B10 464/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PTGS2 2854/4885KDM4E 123/4885HSD17B10 464/4885

“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.