SCHEMBL17344797

SCHEMBL17344797

CC(C)c1ncc2cc3c(cc2c1C(C)C)OCO3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MPO P05164 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
PIM3 Q86V86 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17344804 0.90 PTGS1 (0.33) CASP3SENP7L3MBTL1ALDH1A1HPGD
SCHEMBL17344798 0.88 KLK7 (0.36) ALDH1A1
SCHEMBL13519608 0.69 L3MBTL1 (0.46) CASP3SENP7L3MBTL1ALDH1A1LMNA
SCHEMBL17348447 0.69 ALOX5 (0.44) CASP3SENP7L3MBTL1CTSLCTSB
SCHEMBL24391688 0.69 PDE5A (0.45) MPOALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13171265 0.67 KDM4E (0.44) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21516547 0.65 CASP3 (0.37) CASP3SENP7L3MBTL1MPOSMN1; SMN2
SCHEMBL21127847 0.65
SCHEMBL18922689 0.63 PDGFRB (0.47) CASP3SENP7L3MBTL1MPOALDH1A1
Trisphaeridine SCHEMBL29746387 0.63 KDM4E (0.53) L3MBTL1ALDH1A1LMNASMN1; SMN2PDE10A

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-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA CASP3 2839/4885SENP7 1971/4885L3MBTL1 1205/4885

“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.