SCHEMBL6820402

SCHEMBL6820402

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
ADRA1A P35348 2/20 0.50
AKR1A1 P14550 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL17199801 0.82 CA2 (0.52) CA2CA1GRIK1SLC1A2SLC1A1
SCHEMBL17199809 0.81 CA2 (0.55) CA2CA1GRIK1SLC1A2SLC1A1
SCHEMBL10339951 0.79 HDAC1 (0.55) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL358441 0.79 HDAC1 (0.55) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL3078724 0.79
SCHEMBL6959633 0.78
SCHEMBL9624847 0.78 HDAC1 (0.48) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL8003111 0.78 CA2 (0.68) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL9624567 0.77 HDAC1 (0.52) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL4726173 0.77 HDAC1 (0.52) HDAC7HDAC8HDAC6HDAC9HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
EP-0295100-B1 Methoxymethyl compounds ERBA CARLO SPA (IT) 1994-09-14 EP claimed
US-4952577-A ANTIBIOTICS FARMITALIA CARLO ERBA S.R.L. (IT) 1990-08-28 US claimed
EP-0295100-A1 Methoxymethyl compounds FARMITALIA CARLO ERBA S.r.l. (IT) 1988-12-14 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
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO disclosed
EP-0497978-B1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF KYOTO PHARMA IND (JP) 1997-04-16 EP disclosed
US-5389625-A Sweet taste; oral administering KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
US-5162573-A Anticonvulsant, antiepileptic agent CHIESI FARMACEUTICI S.P.A. (IT) 1992-11-10 US disclosed
EP-0497978-A1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1992-08-12 EP 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-0427860-A1 NEW IMIDAZOLE DERIVATIVES, PRODUCTION THEREOF, AND USES THEREOF AS MEDICINES Kyoto Pharmaceutical Industries, Ltd. (JP) 1991-05-22 EP disclosed
US-4943567-A EFFECTIVE AGAINST PSEUDOMONAS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-07-24 US disclosed
US-4847286-A ANTIALLERGENS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-11 US disclosed
EP-0293771-A2 Cephalosporin compound and pharmaceutical composition thereof Kyoto Pharmaceutical Industries, Ltd. (JP) 1988-12-07 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 HDAC7 9/4885HDAC8 6/4885HDAC6 10/4885
US-20150119346-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 HDAC7 9/4885HDAC8 6/4885HDAC6 10/4885

“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.