SCHEMBL3383085

SCHEMBL3383085

O=C(O)CCCCCCC(=O)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 1.00
ALDH1A1 P00352 4/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
POLB P06746 1/20 0.69
HDAC1 Q13547 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GSK3B P49841 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55

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
SCHEMBL5179083 1.00 HPGD (1.00) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL2415331 0.98 HPGD (0.96) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL5179130 0.95 HPGD (0.90) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL759462 0.87 ALDH1A1 (0.84) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL22721189 0.87 ALDH1A1 (0.83) HPGDALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL1373347 0.85 ALDH1A1 (0.81) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL23859828 0.84 HPGD (0.73) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL3183371 0.84 HPGD (0.73) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL4851426 0.84 HPGD (0.73) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL8972518 0.84 HPGD (0.73) HPGDALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
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 HPGD 1023/4885ALDH1A1 796/4885LMNA 1922/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HPGD 1023/4885ALDH1A1 796/4885LMNA 1922/4885

“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.