SCHEMBL12260908

SCHEMBL12260908

CC(C)C1=CC(=O)C2=C(CCC3C4=C(CC[C@]23C)C(=O)OC4)C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ F2RL1 P55085 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ HIF1A Q16665 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ GGPS1 O95749 1/20 0.30
▸ FDPS P14324 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
SCHEMBL29553636 1.00 AR (0.54) ARCYP3A4SMN1; SMN2NPC1LMNA
SCHEMBL8855258 0.75 EP300 (0.32) HIF1AEPAS1
SCHEMBL8855376 0.74 SRD5A2 (0.35) ARCYP3A4SMN1; SMN2LMNAHIF1A
SCHEMBL29552794 0.73 HIF1A (0.35) HIF1AEPAS1GGPS1FDPS
SCHEMBL15732245 0.71 EP300 (0.46) CYP3A4HIF1AEPAS1CACNA1GGGPS1
Triptophenolide SCHEMBL19236270 0.70 CYP3A4 (1.00) ARCYP3A4SMN1; SMN2NPC1LMNA
Triptophenolide SCHEMBL29429178 0.70 CYP3A4 (1.00) ARCYP3A4SMN1; SMN2NPC1LMNA
SCHEMBL9359538 0.69 KARS1 (0.34) CYP3A4HIF1AEPAS1GGPS1FDPS
SCHEMBL9359973 0.68 CYP3A4 (0.50) CYP3A4LMNAHIF1AEPAS1CACNA1G
SCHEMBL8855191 0.67 KARS1 (0.53) CYP3A4SMN1; SMN2LMNA

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-20110218143-A1 COMPOSITIONS AND METHODS FOR TISSUE REPAIR UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-09-08 — — US disclosed
US-20110218143-A1 COMPOSITIONS AND METHODS FOR TISSUE REPAIR UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-09-08 — — 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-20110218143-A1 COMPOSITIONS AND METHODS FOR TISSUE REPAIR CD68, TNNC1, MATR3 AR 2559/4885CYP3A4 4188/4885SMN1; SMN2 727/4885

“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.

Send feedback