SCHEMBL13036914

SCHEMBL13036914

CN1CCCCC(C(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ GRM5 P41594 5/20 0.35
▸ HTR5A P47898 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL24451121 0.94 BRD4 (0.37) BRD4BRD2GRM5
SCHEMBL782872 0.85 MAPK1 (0.31) BRD4BRD2
SCHEMBL22743944 0.85 MAPK1 (0.31) BRD4BRD2
SCHEMBL13156797 0.78 ENO1 (0.42) —
SCHEMBL13434939 0.78 DPP4 (0.31) ALDH1A1
SCHEMBL19537511 0.77 — —
SCHEMBL13036903 0.77 ENO1 (0.41) —
SCHEMBL9766515 0.76 GAA (0.36) ALDH1A1
SCHEMBL13547418 0.76 DPP4 (0.30) —
SCHEMBL28354691 0.73 TSHR (0.32) ALDH1A1

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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 — — US disclosed
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 — — US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 — — 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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 BRD4 456/4885BRD2 179/4885GRM5 3557/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 BRD4 1047/4885BRD2 1730/4885GRM5 2698/4885

“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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