SCHEMBL25875641

SCHEMBL25875641

CCC(CC)OC(=O)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 4/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCD Q05655 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
SCHEMBL17882022 0.87 PRKCA (0.44) CTSKALDH1A1SMN1; SMN2TSHRCA1
SCHEMBL12369638 0.86 MAPT (0.42) PRKCAPRKCD
SCHEMBL29538930 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAPRKCA
SCHEMBL7217575 0.84 CTSK (0.39) CTSK
SCHEMBL17515451 0.82 CA1 (0.32) CA1CA2
SCHEMBL13541326 0.82 TSHR (0.43) ALDH1A1LMNAHSD17B10TSHRCA1
SCHEMBL580557 0.82 TSHR (0.43) ALDH1A1LMNAHSD17B10TSHRCA1
SCHEMBL1866475 0.82 TSHR (0.43) ALDH1A1LMNAHSD17B10TSHRCA1
SCHEMBL827371 0.82 CTSK (0.35) CTSKALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL17617132 0.82 TSHR (0.43) ALDH1A1LMNAHSD17B10TSHRCA1

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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 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-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME ACE, ACE2, PREP CTSK 71/4885ALDH1A1 1618/4885SMN1; SMN2 3154/4885

“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.