SCHEMBL13699263

SCHEMBL13699263

CCC(C)Cc1ccc(-c2cnccn2)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.39
CYP2C19 P33261 9/20 0.39
CYP2A6 P11509 9/20 0.39
CYP2C9 P11712 7/20 0.39
CYP2E1 P05181 6/20 0.39
CYP2B6 P20813 6/20 0.39
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C8 P10632 3/20 0.39
CYP19A1 P11511 1/20 0.36
LIMK1 P53667 4/20 0.34
LIMK2 P53671 2/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PRKCI P41743 1/20 0.32

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
SCHEMBL10130673 0.86 CYP2A6 (0.38) CYP2D6CYP2C19CYP2A6CYP2C9CYP2E1
SCHEMBL10160902 0.81 CYP2D6 (0.44) CYP2D6CYP2C19CYP2A6CYP2C9CYP2E1
SCHEMBL13699203 0.81 KDM4E (0.53) CYP1A2MAPK14HTT
SCHEMBL13699254 0.79 CYP2A6 (0.59) CYP2D6CYP2C19CYP2A6CYP2C9CYP2E1
SCHEMBL13514034 0.77 SLC5A2 (0.37) CYP2D6CYP2C19CYP2A6CYP2C9CYP2E1
SCHEMBL13699162 0.76 RORC (0.44) CYP2D6CYP2C19CYP2A6CYP2C9CYP2E1
SCHEMBL12680207 0.71 ALOX5 (0.38) CYP2D6CYP2C19CYP2C9CYP1A2CYP19A1
SCHEMBL13416007 0.70 HTT (0.45) CYP2D6CYP2C19CYP2C9CYP1A2CYP19A1
SCHEMBL4630607 0.69 KDM4E (0.37) CYP2D6CYP2C19CYP2C9CYP1A2CYP3A4
SCHEMBL21608633 0.68 LTA4H (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CYP2D6 2/4885CYP2C19 7/4885CYP2A6 4/4885

“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.