SCHEMBL21765157

SCHEMBL21765157

CC(C)(O)C(C)(C)OBc1ccccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ACP1 P24666 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AKR1C3 P42330 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.34
▸ TEAD1 P28347 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ TEAD2 Q15562 1/20 0.34
▸ P2RY1 P47900 1/20 0.34

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
SCHEMBL21091492 0.79 AKR1C3 (0.45) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL25974635 0.75 SLC6A4 (0.37) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL25129306 0.74 MAPT (0.36) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL18428342 0.73 PTGS1 (0.35) KDM4E
SCHEMBL1921457 0.72 ALDH1A1 (0.55) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29317108 0.70 CES2 (0.39) MEN1KMT2A
SCHEMBL23312577 0.70 — —
SCHEMBL21439856 0.68 MEN1 (0.62) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL22791773 0.68 TSHR (0.36) RAB9AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL24074578 0.68 TSHR (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — 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 (2 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 MEN1 3450/4885KMT2A 1927/4885RAB9A 953/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 MEN1 3450/4885KMT2A 1927/4885RAB9A 953/4885

“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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