SCHEMBL836787

SCHEMBL836787

CC(=O)COc1cc(C)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM3 P20309 2/20 0.45
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
CHRM1 P11229 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
TMPRSS15 P98073 1/20 0.40

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
SCHEMBL8846694 0.86 L3MBTL1 (0.56) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22723991 0.84 L3MBTL1 (0.55) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL27361867 0.76 RAB9A (0.49) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13479963 0.75
SCHEMBL6971473 0.73
SCHEMBL875579 0.72 TMPRSS15 (0.49) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22961451 0.72 CHRM2 (0.49) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL19520914 0.71 TMPRSS15 (0.49) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15871987 0.70 SMPD1 (0.48) L3MBTL1CHRM2CHRM4CHRM5CHRM3
SCHEMBL285859 0.70 CHRM2 (0.47) L3MBTL1CHRM2CHRM4CHRM5CHRM3

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-8143421-B2 Broadspectrum substituted benzimidazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-03-27 US disclosed
US-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS SURLERAUX DOMINIQUE LOUIS 2009-08-13 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-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS NR0B1, LTC4S, LTB4R L3MBTL1 2244/4885CHRM2 452/4885CHRM4 835/4885

“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.