SCHEMBL5514967

SCHEMBL5514967

CCCC(CCOC)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.70
HDAC2 Q92769 2/20 0.70
CHRM1 P11229 1/20 0.70
AKR1A1 P14550 1/20 0.70
CHRM3 P20309 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
ADRA1A P35348 1/20 0.70
HRH1 P35367 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 3/20 0.48
GRIK1 P39086 3/20 0.48
GRIK2 Q13002 3/20 0.48
SLC1A3 P43003 2/20 0.48
CA2 P00918 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL13477875 0.88 CA2 (0.61) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL4579756 0.88 CHRM1 (0.64) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL5515553 0.86 CHRM1 (0.61) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL5791513 0.84 CA2 (0.56) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL141328 0.84 HDAC1 (0.65) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL28265918 0.84 GRIK1 (0.54) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL140241 0.83 CHRM1 (1.00) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL2275 0.83 CHRM1 (1.00) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL1330837 0.83 CHRM1 (1.00) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL16552677 0.83 HDAC1 (0.70) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US claimed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN claimed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
US-8569058-B2 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070043114-A1 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1685832-A1 NERVE REGENERATION PROMOTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-02 EP disclosed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN 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 (3 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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 HDAC1 1685/4885HDAC2 2671/4885CHRM1 93/4885
US-20070043114-A1 Nerve regeneration promoters BDNF, NGF, GAP43 HDAC1 961/4885HDAC2 1999/4885CHRM1 2671/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 HDAC1 1537/4885HDAC2 2042/4885CHRM1 84/4885

“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.