SCHEMBL12611015

SCHEMBL12611015

CCCC(CC(CCC)C(=O)O)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.83
AKR1A1 P14550 1/20 0.83
CHRM3 P20309 1/20 0.83
HTR2A P28223 1/20 0.83
HTR2C P28335 1/20 0.83
ADRA1A P35348 1/20 0.83
HRH1 P35367 1/20 0.83
DRD3 P35462 1/20 0.83
SLC6A3 Q01959 1/20 0.83
HDAC1 Q13547 1/20 0.83
HDAC2 Q92769 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
SLC1A2 P43004 5/20 0.74
SLC1A1 P43005 5/20 0.74
GRIK1 P39086 4/20 0.74
GRIK2 Q13002 4/20 0.74
SLC1A3 P43003 4/20 0.74
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 2/20 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
Valproic Acid SCHEMBL2275 0.91 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL140241 0.91 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL1330837 0.91 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10020285 0.90 CHRM1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2491997 0.90 CHRM1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28647148 0.90 CHRM1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL69795 0.88 CHRM1 (0.94) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1738242 0.88 CHRM1 (0.94) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL7579608 0.88 CHRM1 (0.94) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL139238 0.88 CHRM1 (0.94) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688554-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES Cevc, Gregor (DE) 2014-01-29 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-2012126966-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2012-09-27 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 (1 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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 CHRM1 1956/4885AKR1A1 2466/4885CHRM3 1279/4885

“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.