SCHEMBL31546127

SCHEMBL31546127

CC(C)(C)c1ccc(CC2OCC(=O)CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SIGMAR1 Q99720 6/20 0.36
▸ GPR84 Q9NQS5 2/20 0.35
▸ ERCC5 P28715 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ EBP Q15125 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL31545933 0.77 MDM2 (0.36) POLBMAPT
SCHEMBL31546208 0.74 GLA (0.34) POLBKMT2A
SCHEMBL10699635 0.74 POLB (0.41) POLBDAOTP53TSHRSIGMAR1
SCHEMBL25258805 0.73 TSHR (0.43) TP53TSHRSIGMAR1EBPMEN1
SCHEMBL31546106 0.71 TP53 (0.39) POLBDAOTP53TSHRSIGMAR1
SCHEMBL31546186 0.69 CYP1A2 (0.42) KMT2A
SCHEMBL12919128 0.68 L3MBTL1 (0.31) MEN1KMT2AMAPT
SCHEMBL26475122 0.66 CRBN (0.66) POLBKMT2A
SCHEMBL12919014 0.66 HSD11B1 (0.34) TSHRMEN1KMT2AMAPTKCNH2
SCHEMBL31546123 0.65 RAB9A (0.41) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF Structure Holdings, LLC (US) 2025-03-20 — — US claimed
US-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF Structure Holdings, LLC (US) 2025-03-20 — — 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-20250090440-A1 NOVEL CYCLIC ACETAL COMPOUNDS WITH ALDEHYDE OR KETONE FUNCTIONALITIES AND USES THEREOF OR51E2, TAS2R5, TRPA1 POLB 4192/4885DAO 467/4885TP53 2992/4885

“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.

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