SCHEMBL791874

SCHEMBL791874

COCCN(CC(=O)O)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
MVD P53602 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ALOX15 P16050 1/20 0.34
DRD1 P21728 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7720624 0.85 MAPK1 (0.39) MAPK1ALDH1A1BLMPMP22HSD17B10
SCHEMBL15233097 0.85 MLYCD (0.35) ALDH1A1HSD17B10KDM4ELMNATSHR
SCHEMBL1196853 0.84 MLYCD (0.39) ALDH1A1HSD17B10KDM4ELMNASLC6A2
SCHEMBL15233411 0.82 KDM4E (0.33) ALDH1A1HSD17B10KDM4ELMNASLC6A2
SCHEMBL28645748 0.82 ALDH1A1 (0.39) ALDH1A1BLMPMP22HSD17B10TDP1
SCHEMBL16452438 0.78 HDAC1 (0.45) MAPK1ALDH1A1HSD17B10LMNATSHR
SCHEMBL11929806 0.78 MLYCD (0.46) ALDH1A1HSD17B10KDM4ELMNASLC6A2
SCHEMBL13173710 0.77 BLM (0.50) MAPK1ALDH1A1BLMPMP22HSD17B10
SCHEMBL28628057 0.77 KDM4E (0.39) MAPK1ALDH1A1BLMPMP22HSD17B10
SCHEMBL24244845 0.77 HSD17B10 (0.39) ALDH1A1BLMPMP22HSD17B10KDM4E

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPK1 1154/4885ALDH1A1 750/4885BLM 3415/4885

“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.