SCHEMBL29601948

SCHEMBL29601948

O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 1.00
BCL2 P10415 2/20 1.00
ALB P02768 1/20 1.00
BCL2L1 Q07817 1/20 0.78

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
SCHEMBL2205726 1.00 MCL1 (1.00) MCL1BCL2ALBBCL2L1
SCHEMBL29928106 0.90 MCL1 (0.82) MCL1BCL2ALBBCL2L1
SCHEMBL15622598 0.89 MCL1 (0.80) MCL1BCL2ALBBCL2L1
SCHEMBL15621978 0.88 MCL1 (0.78) MCL1BCL2ALBBCL2L1
SCHEMBL2204330 0.88 MCL1 (0.78) MCL1BCL2ALBBCL2L1
SCHEMBL15622733 0.88 MCL1 (0.85) MCL1BCL2ALBBCL2L1
SCHEMBL29928296 0.88 MCL1 (1.00) MCL1BCL2ALBBCL2L1
SCHEMBL2203925 0.88 MCL1 (0.78) MCL1BCL2ALBBCL2L1
SCHEMBL15622564 0.87 MCL1 (1.00) MCL1BCL2ALBBCL2L1
SCHEMBL2206136 0.87 MCL1 (0.77) MCL1BCL2ALBBCL2L1

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-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP 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 (3 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 MCL1 54/4885BCL2 624/4885ALB 2929/4885
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 MCL1 26/4885BCL2 430/4885ALB 2966/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 MCL1 26/4885BCL2 430/4885ALB 2966/4885

“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.