SCHEMBL25612554

SCHEMBL25612554

CCC(O)COCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.34
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL27616395 0.85 SLC22A6 (0.41) PTGS1ALDH1A1LMNASLC22A6TSHR
SCHEMBL9629683 0.79 GPR84 (0.48) L3MBTL1GPR84
SCHEMBL4332298 0.79 USP2 (0.41) KDM4EALDH1A1LMNASLC22A6TSHR
SCHEMBL15315154 0.78 KDM4E (0.33) KDM4ELMNAHSD17B10
SCHEMBL9630860 0.78 USP2 (0.50) KDM4EALDH1A1LMNAL3MBTL1HSD17B10
Acetic Acid SCHEMBL605702 0.77 TSHR (0.41) KDM4EALDH1A1LMNATSHRFFAR3
SCHEMBL3344644 0.77 FFAR1 (0.42) PTGS1ALDH1A1NR1H2NR1H3GLA
SCHEMBL325805 0.77 KDM4E (0.52) KDM4EL3MBTL1TSHRHSD17B10
SCHEMBL9628865 0.77 GPR84 (0.59) GPR84
SCHEMBL9629741 0.77 GPR84 (0.59) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165891-A1 VIRUCIDAL COMPOSITIONS AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2023-06-01 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 (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-20230165891-A1 VIRUCIDAL COMPOSITIONS AND USE THEREOF SELPLG, DDOST, CD2BP2 KDM4E 2306/4885PTGS1 2391/4885ALDH1A1 3565/4885

“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.