SCHEMBL13699162

SCHEMBL13699162

CCC(C)Cc1ccc(-c2cncnc2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
CYP2A6 P11509 14/20 0.40
CYP2C19 P33261 12/20 0.40
CYP2D6 P10635 11/20 0.40
CYP2C9 P11712 10/20 0.40
CYP2B6 P20813 10/20 0.40
CYP3A4 P08684 9/20 0.40
CYP1A2 P05177 6/20 0.40
CYP2E1 P05181 10/20 0.40
SLC5A2 P31639 1/20 0.38
PRKCI P41743 1/20 0.36
CYP2C8 P10632 4/20 0.35
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL10130683 0.85 RORC (0.49) RORCCYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL13699254 0.85 CYP2A6 (0.59) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL10162016 0.80 CYP2A6 (0.46) RORCCYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL13699263 0.76 CYP2D6 (0.39) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL13514034 0.73 SLC5A2 (0.37) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL27398576 0.73 CYP2A6 (0.69) RORCCYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL13699203 0.71 KDM4E (0.53) CYP1A2
SCHEMBL13003925 0.70 ATM (0.41) CYP2A6
SCHEMBL10130586 0.70 CYP2A6 (0.64) CYP2A6CYP2C19CYP2D6CYP2C9CYP2B6
SCHEMBL21608633 0.70 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 RORC 901/4885CYP2A6 4/4885CYP2C19 7/4885

“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.