SCHEMBL23829966

SCHEMBL23829966

CC(C)(C)C(CO)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ADRA1A P35348 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PGD P52209 1/20 0.34
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
MME P08473 2/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 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
SCHEMBL23829965 1.00 SLC22A6 (0.38) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL28551189 0.87 SLC22A6 (0.43) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL28440042 0.82 SLC22A6 (0.39) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL14261124 0.80 SLC22A6 (0.38) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL15555383 0.80 SLC22A6 (0.38) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL28661713 0.78 TSHR (0.41) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL22091924 0.78 PGD (0.37) SLC22A6TDP1ADRA1ASMN1; SMN2HMGCR
SCHEMBL8977482 0.78 TET2 (0.43)
SCHEMBL1828952 0.78 HDAC3 (0.37) SLC22A6
SCHEMBL1768940 0.76 FOLH1 (0.46) CYP2D6TSHRCYP2C19

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
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
WO-2021188414-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2021-09-23 WO disclosed
US-20210292320-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-09-23 US 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-20210292320-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS HAVCR2, HDGF, HCCS SLC22A6 2443/4885TDP1 4244/4885ADRA1A 4305/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS SLC22A6 2443/4885TDP1 4244/4885ADRA1A 4305/4885

“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.