SCHEMBL10199356

SCHEMBL10199356

CC(C)c1ccc2c(c1)CC(C(C)C)OC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
TNKS O95271 4/20 0.39
TNKS2 Q9H2K2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GFER P55789 1/20 0.32
RNASEH1 O60930 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL10262099 0.81 KDM4E (0.40) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL19230721 0.77 TNKS (0.45) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL25087408 0.77 TNKS (0.45) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL14015644 0.75 CHRNB2 (0.37) KDM4EGAAALDH1A1HTTHPGD
SCHEMBL14015641 0.75 OGA (0.35) KDM4EGAAALDH1A1HTTHPGD
SCHEMBL5520992 0.72 LMNA (0.39) KDM4EGAAALDH1A1HTTHPGD
SCHEMBL9886765 0.72 LMNA (0.39) GAAALDH1A1HTTHPGDHSD17B10
SCHEMBL20989994 0.69 CA1 (0.46) GAAALDH1A1HTTHPGDHSD17B10
SCHEMBL8688819 0.69 CA1 (0.46) GAAALDH1A1HTTHPGDHSD17B10
SCHEMBL24648949 0.69 CHRNB2 (0.41) GAAALDH1A1HTTHPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR KDM4E 3785/4885GAA 3974/4885TNKS 4725/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDM4E 1104/4885GAA 1352/4885TNKS 489/4885

“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.