SCHEMBL13625688

SCHEMBL13625688

CC(C)CCc1ccc(-c2cnccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.51
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
PORCN Q9H237 1/20 0.40
MET P08581 1/20 0.38
USP1 O94782 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CDK9 P50750 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
WNT3A P56704 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL31140237 0.83 CYP2D6 (0.51) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10130785 0.83 CYP2D6 (0.51) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL31140242 0.81 CYP2D6 (0.61) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6880980 0.78 AOC3 (0.47) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6880986 0.78 AOC3 (0.47) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30639581 0.78 CYP2C19 (0.49) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6852314 0.78 CYP2D6 (0.49) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6854228 0.78 CYP2D6 (0.49) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27032937 0.78 CYP2C19 (0.49) BRS3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL11829214 0.78 MME (0.45) BRS3CYP2D6CYP19A1CYP2C9CYP2C19

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
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 BRS3 634/4885CYP2D6 61/4885CYP19A1 777/4885

“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.