SCHEMBL29698706

SCHEMBL29698706

COc1cc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL29606519 0.87 ALDH1A1 (0.36)
SCHEMBL31568878 0.87 ALDH1A1 (0.36)
SCHEMBL462590 0.87 ALDH1A1 (0.36)
SCHEMBL15119998 0.82 ALDH1A1 (0.33)
SCHEMBL14782194 0.79 AKR1C3 (0.37) CETPAKR1C3AKR1C2
SCHEMBL29378428 0.79 AKR1C3 (0.37) CETPAKR1C3AKR1C2
SCHEMBL470718 0.78 PTGS2 (0.36) CETP
SCHEMBL19469283 0.76 AKR1C3 (0.35) CETPAKR1C3AKR1C2
SCHEMBL16450515 0.76 CETP (0.35) CETPAKR1C3AKR1C2
SCHEMBL16248038 0.74 CETP (0.33) CETPAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
EP-4247492-A1 MALT-1 MODULATORS Exscientia Al Limited (GB) 2023-09-27 EP disclosed
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 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 (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-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 CETP 940/4885AKR1C3 3641/4885AKR1C2 3361/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 CETP 3457/4885AKR1C3 1981/4885AKR1C2 2825/4885

“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.