SCHEMBL31414929

SCHEMBL31414929

COc1nc(B2OC(C)(C)C(C)(C)O2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
EGFR P00533 1/20 0.33
SNCA P37840 1/20 0.33
ALPL P05186 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL13858446 0.85 CA1 (0.33) LPLLIPGSNCAALPL
SCHEMBL16428250 0.82 SNCA (0.33) LPLLIPGEGFRSNCAALPL
SCHEMBL31082970 0.81 GRM4 (0.33) LPLLIPGEGFRSNCAALPL
SCHEMBL27080065 0.77 SNCA (0.36) SNCAALPL
SCHEMBL21623497 0.77 LPL (0.33) LPLLIPGSNCAALPLPDCD1LG2
SCHEMBL428799 0.75 NNMT (0.40) ALPLPDCD1LG2CD274
SCHEMBL423702 0.75 PDCD1 (0.43) ALPLCD274
SCHEMBL22160418 0.74 PDE4A (0.32)
SCHEMBL24215357 0.73 ALPL (0.37) SNCAALPL
SCHEMBL19994974 0.73 LPL (0.36) LPLLIPGEGFR

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-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF MIRUM PHARMACEUTICALS, INC. 2025-01-23 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 (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-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B13, HSD17B1, HSD17B3 LPL 373/4885LIPG 572/4885EGFR 4754/4885

“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.