SCHEMBL29307653

SCHEMBL29307653

CCc1cccc2c(=O)cc(-c3ccccc3)oc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.63
CYP3A4 P08684 5/20 0.63
CYP2D6 P10635 3/20 0.63
CYP2C19 P33261 3/20 0.63
STAT6 P42226 1/20 0.63
CYP1B1 Q16678 6/20 0.60
CYP1A1 P04798 5/20 0.60
CYP19A1 P11511 5/20 0.60
HPGD P15428 4/20 0.60
TP53 P04637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
ABCB1 P08183 2/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPK1 P28482 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2C9 P11712 2/20 0.60
PDE5A O76074 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL4637160 0.85 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
Mitoflaxone SCHEMBL106705 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL7141873 0.83 CYP3A4 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL10637766 0.82 CYP2D6 (0.76) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL12835503 0.82 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL1516348 0.82 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL29051913 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL30747828 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL4649417 0.81 CYP1B1 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19STAT6
SCHEMBL1516343 0.81 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19STAT6

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-12036319-B2 Polyvalent sting activating compositions and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 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-12036319-B2 Polyvalent sting activating compositions and uses thereof STING1, CGAS, TLR7 CYP1A2 4862/4885CYP3A4 4780/4885CYP2D6 4869/4885

“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.