SCHEMBL9624847

SCHEMBL9624847

[CH2]COC(=O)C(CCC)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
ADRA1A P35348 2/20 0.48
AKR1A1 P14550 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC7 Q8WUI4 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC10 Q969S8 2/20 0.47

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
SCHEMBL27860342 0.82 HDAC1 (0.53) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL4726173 0.80 HDAC1 (0.52) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL9625495 0.80 HDAC1 (0.60) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL9624567 0.80 HDAC1 (0.52) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL4396330 0.79 CA2 (0.66) TDP1CYP3A4TSHRNPSR1CA2
SCHEMBL2448748 0.78 HDAC1 (0.58) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL6820402 0.78 HDAC7 (0.50) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL19056967 0.77 GRIK1 (0.39) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL358441 0.77 HDAC1 (0.55) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL10339951 0.77 HDAC1 (0.55) HDAC1HDAC2CHRM1CHRM3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250997-B1 VALPROIC AND (E)-2-VALPROENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM CHIESI FARMACEUTICI S.p.A. (IT) 1992-04-15 EP claimed
US-20150119346-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF Chromatin Technologies 2015-04-30 US disclosed
US-8921533-B2 Glycosylated valproic acid analogs and uses thereof Chromatin Technologies (US) 2014-12-30 US disclosed
US-20130029924-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF Chromatin Technologies (US) 2013-01-31 US disclosed
US-5162573-A Anticonvulsant, antiepileptic agent CHIESI FARMACEUTICI S.P.A. (IT) 1992-11-10 US disclosed
EP-0250997-B1 VALPROIC AND (E)-2-VALPROENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM CHIESI FARMACEUTICI S.p.A. (IT) 1992-04-15 EP 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-20130029924-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 HDAC1 3/4885HDAC2 4/4885CHRM1 4198/4885
US-20150119346-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 HDAC1 3/4885HDAC2 4/4885CHRM1 4198/4885

“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.