SCHEMBL25813892

SCHEMBL25813892

Clc1ccc2c(c1)CCC[C@@]21CNc2cc(I)ccc2OC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.42
CCND1 P24385 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
BCL2L11 O43521 10/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL22894800 1.00 MCL1 (0.42) MCL1CCND1SIGMAR1BCL2L11KDM1A
SCHEMBL29414585 1.00 MCL1 (0.42) MCL1CCND1SIGMAR1BCL2L11KDM1A
SCHEMBL24461727 0.87 MCL1 (0.42) MCL1CCND1SIGMAR1BCL2L11KDM1A
SCHEMBL25670137 0.87 MCL1 (0.42) MCL1CCND1SIGMAR1BCL2L11
SCHEMBL22975900 0.84 MCL1 (0.47) MCL1CCND1SIGMAR1BCL2L11
SCHEMBL24031808 0.84 MCL1 (0.42) MCL1CCND1SIGMAR1BCL2L11KDM1A
SCHEMBL24461875 0.84 MCL1 (0.40) MCL1CCND1SIGMAR1BCL2L11KDM1A
SCHEMBL17542338 0.83 MCL1 (0.58) MCL1CCND1BCL2L11
SCHEMBL29436626 0.83 MCL1 (0.58) MCL1CCND1BCL2L11
SCHEMBL17542341 0.83 MCL1 (0.58) MCL1CCND1BCL2L11

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
EP-3997097-B1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-03-20 EP disclosed
US-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-02-29 US disclosed
US-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-02-29 US disclosed
US-20230219906-A1 MACROCYCLIC-2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-13 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-20240067660-A1 MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 MCL1 1/4885CCND1 191/4885SIGMAR1 3927/4885
US-20230219906-A1 MACROCYCLIC-2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BCL2A1 MCL1 1/4885CCND1 336/4885SIGMAR1 4194/4885

“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.