SCHEMBL25186952

SCHEMBL25186952

CC(C)(C)OC(=O)CCOCCC(=O)NCCOCCOCCN

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.38
▸ TLR1 Q15399 2/20 0.38
▸ CA2 P00918 6/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA4 P22748 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ PLK1 P53350 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ EPHX2 P34913 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL22388928 1.00 TLR2 (0.38) TLR2TLR1CA2CA1CA12
SCHEMBL25330813 1.00 TLR2 (0.38) TLR2TLR1CA2CA1CA12
Hydrochloric Acid SCHEMBL29467725 0.99 TLR2 (0.38) TLR2TLR1CA2CA1CA12
SCHEMBL25030535 0.93 TLR2 (0.35) TLR2TLR1CA2CA1CA12
SCHEMBL24038540 0.93 CA2 (0.39) TLR2TLR1CA2CA1CA12
SCHEMBL24038746 0.93 CA2 (0.39) TLR2TLR1CA2CA1CA12
SCHEMBL16329260 0.90 TLR2 (0.34) TLR2TLR1CA2CA1CA12
SCHEMBL25028544 0.90 TLR2 (0.41) TLR2TLR1CA2CA1CA12
SCHEMBL25028457 0.90 TLR2 (0.35) TLR2TLR1PLK1MEN1KMT2A
SCHEMBL24040329 0.89 TLR2 (0.41) TLR2TLR1CA2CA1CA12

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
US-20250032625-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Merck Patent KGaA (DE) 2025-01-30 — — US disclosed
EP-4426700-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Merck Patent GmbH (DE) 2024-09-11 — — EP disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 — — WO 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-20250032625-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, UBQLN1, TTI1 TLR2 3933/4885TLR1 3840/4885CA2 3851/4885

“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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