SCHEMBL9624407

SCHEMBL9624407

[CH2]OC(=O)/C(=C/CC)CCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL9624411 1.00 ALDH1A1 (0.34) ALDH1A1CES2CES1GRIK1GRIK2
SCHEMBL13715425 0.81 ALDH1A1 (0.36) ALDH1A1CES2CES1GRIK1GRIK2
SCHEMBL9624085 0.80 ALDH1A1 (0.32) ALDH1A1CES2CES1GRIK1GRIK2
SCHEMBL9624087 0.80 ALDH1A1 (0.32) ALDH1A1CES2CES1GRIK1GRIK2
SCHEMBL10454777 0.79 NPSR1 (0.41) ALDH1A1CES2CES1TSHR
SCHEMBL2951938 0.79 GRIK1 (0.36) ALDH1A1CES2CES1GRIK1GRIK2
SCHEMBL9494567 0.79 NPSR1 (0.41) ALDH1A1CES2CES1TSHR
SCHEMBL9494561 0.79 NPSR1 (0.41) ALDH1A1CES2CES1TSHR
SCHEMBL22588817 0.78 HCAR2 (0.38) ALDH1A1CES2CES1GRIK1GRIK2
SCHEMBL28489021 0.78 HCAR2 (0.38) ALDH1A1CES2CES1GRIK1GRIK2

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
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
EP-0250997-A2 Valproic and (E)-2-valproenoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1988-01-07 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 ALDH1A1 97/4885CES2 209/4885CES1 409/4885
US-20150119346-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 ALDH1A1 97/4885CES2 209/4885CES1 409/4885

“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.