SCHEMBL26548894

SCHEMBL26548894

CCC(CO)(CO)COC(=O)C(C)(O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
THRB P10828 1/20 0.30

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
SCHEMBL24436707 0.86 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL26548914 0.86 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4186309 0.79 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3010343 0.78 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27165259 0.78 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11991309 0.77 PDK1 (0.33) PDK1PDK2PDK3PDK4
SCHEMBL11991310 0.77 LMNA (0.33) PDK1PDK2PDK3PDK4
SCHEMBL6911623 0.77 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL6911629 0.77 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8516578 0.77 PDK1 (0.45) ALDH1A1HIF1APDK1PDK2PDK3

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-20230332008-A1 PHENOL COMPOUND, CONDUCTIVE PASTE COMPOSITION, METHOD FOR PRODUCING CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-19 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-20230332008-A1 PHENOL COMPOUND, CONDUCTIVE PASTE COMPOSITION, METHOD FOR PRODUCING CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE COL1A1, MYB, HES1 ALDH1A1 1946/4885TP53 4453/4885CYP3A4 1298/4885

“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.