SCHEMBL25359474

SCHEMBL25359474

COc1ccc(COc2ccc3c(c2)c(Br)cn3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
HTR6 P50406 1/20 0.43
SMPD1 P17405 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ANO1 Q5XXA6 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
FFAR1 O14842 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL1958918 0.90 L3MBTL1 (0.45) PDE10AHTR6NPC1RAB9AL3MBTL1
SCHEMBL1357445 0.88 AKR1C3 (0.47) PDE10AHTR6RAB9AAKR1C3L3MBTL1
SCHEMBL29992656 0.88 AKR1C3 (0.47) PDE10AHTR6RAB9AAKR1C3L3MBTL1
SCHEMBL29992688 0.88 AKR1C3 (0.47) PDE10AHTR6RAB9AAKR1C3L3MBTL1
SCHEMBL31370509 0.84 L3MBTL1 (0.49) PDE10AHTR6SMN1; SMN2AKR1C3L3MBTL1
SCHEMBL31370555 0.84 HTR6 (0.43) PDE10AHTR6AKR1C3L3MBTL1MEN1
SCHEMBL31370670 0.83 HTR6 (0.42) PDE10AHTR6AKR1C3L3MBTL1MEN1
SCHEMBL23107203 0.82 SRD5A2 (0.42) PPARGPPARDPPARAL3MBTL1MAOB
SCHEMBL31689015 0.81 APP (0.41) PDE10AHTR6SMPD1PPARGPPARD
SCHEMBL29992649 0.80 HTR6 (0.42) PDE10AHTR6AKR1C3L3MBTL1MEN1

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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP PDE10A 3902/4885HTR6 3261/4885SMPD1 4205/4885

“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.