SCHEMBL25825172

SCHEMBL25825172

CC(C)(C)c1ccc2c(c1)OC(CC(C)(C)c1nc3ccccc3[nH]1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALKBH3 Q96Q83 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CHEK2 O96017 1/20 0.36

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
SCHEMBL13073559 0.68 NPSR1 (0.58) HDAC6NPSR1LMNATP53CYP1A2
SCHEMBL24904423 0.68 TRPV1 (0.43) LMNAALDH1A1
SCHEMBL30633367 0.68 NPSR1 (0.66) SCN10AHDAC6KCNH2NPSR1TP53
SCHEMBL846351 0.68 NPSR1 (0.66) SCN10AHDAC6KCNH2NPSR1TP53
SCHEMBL22016725 0.67 NPSR1 (0.56) HDAC6NPSR1LMNATP53CYP1A2
SCHEMBL12463520 0.67 CYP19A1 (0.39) ALDH1A1HPGD
SCHEMBL22734741 0.67 NPSR1 (0.51) HDAC6NPSR1LMNATP53CYP1A2
SCHEMBL12402382 0.67 SCN10A (0.51) SCN10AHDAC6KCNH2PDE10AALDH1A1
SCHEMBL22926257 0.66 NPSR1 (0.54) HDAC6NPSR1LMNATP53CYP1A2
SCHEMBL229852 0.66 NPSR1 (0.68) HDAC6NPSR1LMNATP53CYP1A2

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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 — — 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 SCN10A 2786/4885HDAC6 3889/4885KCNH2 2446/4885

“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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