SCHEMBL22473335

SCHEMBL22473335

COc1ccc(C(C)(C)C(=O)O)cc1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TLR7 Q9NYK1 4/20 0.45
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LDHA P00338 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL24021249 0.85 TLR7 (0.51) TLR7AKR1C3AKR1C2PPARDPPARA
SCHEMBL20222980 0.82 TLR7 (0.47) TLR7AKR1C3AKR1C2MEN1HTT
SCHEMBL24021196 0.82 TLR7 (0.49) TLR7AKR1C3AKR1C2MEN1HTT
SCHEMBL24021217 0.81 TLR7 (0.51) TLR7AKR1C3AKR1C2PPARDPPARA
SCHEMBL24021218 0.80 TLR7 (0.50) TLR7AKR1C3AKR1C2MEN1KMT2A
SCHEMBL24021262 0.79 ATM (0.51) ATML3MBTL1MEN1HTTKMT2A
SCHEMBL24021172 0.79 L3MBTL1 (0.43) ATML3MBTL1MEN1HTTKMT2A
SCHEMBL602723 0.78 CA12 (0.52) L3MBTL1AKR1C3AKR1C2KMT2AHSD17B10
SCHEMBL24021242 0.77 APP (0.39) ATML3MBTL1TLR7AKR1C3AKR1C2
SCHEMBL3753644 0.77 AKR1C3 (0.49) L3MBTL1TLR7AKR1C3AKR1C2HTT

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
EP-3548478-B1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS APROS THERAPEUTICS INC (US) 2021-11-17 EP disclosed
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2020-09-29 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-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS ATM 1393/4885L3MBTL1 3141/4885TLR7 1/4885

“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.