SCHEMBL29324697

SCHEMBL29324697

CCCN1CCC2(CC1)CC(C(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 4/20 0.32
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL15112753 0.85 CYP1A2 (0.41) CYP1A2CYP2D6ALOX15KDM4E
SCHEMBL15781119 0.78 CYP1A2 (0.38) CYP1A2CYP2D6ALOX15
SCHEMBL22200126 0.78 TSHR (0.46) CYP1A2CYP2D6ALOX15
SCHEMBL21107507 0.77 KDM4E (0.43) CYP1A2CYP2D6ALOX15KDM4EDRD2
SCHEMBL22848872 0.77 KDM4E (0.39) CYP1A2CYP2D6ALOX15KDM4EDRD2
SCHEMBL21733145 0.77 KDM4E (0.39) CYP1A2CYP2D6ALOX15KDM4EDRD2
SCHEMBL14942381 0.77 KDM4E (0.42) CYP1A2CYP2D6ALOX15KDM4EDRD2
SCHEMBL25935795 0.76 CYP1A2 (0.39) CYP1A2CYP2D6ALOX15
SCHEMBL24673601 0.76 KDM4E (0.38) CYP1A2CYP2D6ALOX15KDM4EDRD2
SCHEMBL24764885 0.74 KDM4E (0.37) KDM4EDRD2DRD3

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 1 patent. 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

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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 CYP1A2 3232/4885CYP2D6 4042/4885ALOX15 2938/4885

“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.