SCHEMBL30605076

SCHEMBL30605076

CC(C)c1cc(C(C)C)c(-c2ccccc2)c(C(C)C)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.39
▸ GABRA1 P14867 3/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ AHR P35869 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GCGR P47871 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL28313775 0.87 CA1 (0.45) ABCB1GABRA1GABRB2AHRLMNA
SCHEMBL629526 0.87 ABCB1 (0.35) ABCB1GABRA1GABRB2AHRLMNA
SCHEMBL17924597 0.87 ABCB1 (0.35) ABCB1GABRA1GABRB2AHRLMNA
SCHEMBL17924585 0.85 HPGD (0.44) ABCB1GABRA1GABRB2AHRLMNA
SCHEMBL11327097 0.84 HSP90AA1 (0.39) ABCB1GABRA1GABRB2AHRHSP90AA1
SCHEMBL30731374 0.84 LMNA (0.43) GABRA1GABRB2AHRLMNAMAPT
SCHEMBL28447465 0.82 ABCB1 (0.35) ABCB1GABRA1LMNAHSP90AA1MAPT
SCHEMBL22655618 0.82 ABCB1 (0.35) ABCB1GABRA1GABRB2AHRHSP90AA1
SCHEMBL28197074 0.81 HSP90AA1 (0.37) ABCB1HSP90AA1GCGRPTGS1
SCHEMBL1275011 0.81 ABCB1 (0.32) ABCB1

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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 — — 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-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 ABCB1 3078/4885GABRA1 1169/4885GABRB2 1016/4885

“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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