SCHEMBL3434302

SCHEMBL3434302

CCC1CC2(CC1CC)C(=O)c1c(-c3cccs3)sc(-c3cccs3)c1C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 10/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 6/20 0.33
KDM4E B2RXH2 6/20 0.33
HPGD P15428 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 4/20 0.32
RAB9A P51151 2/20 0.32
PBRM1 Q86U86 1/20 0.32
NPC1 O15118 1/20 0.32
LTA4H P09960 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL3434309 0.72
SCHEMBL10037342 0.71 MEN1 (0.38) GAATSHRALDH1A1MAPTKDM4E
SCHEMBL29177041 0.68 SLC6A11 (0.41) GAATSHRALDH1A1MAPTKDM4E
SCHEMBL10037360 0.68 MEN1 (0.40) GAATSHRALDH1A1HTTMAPT
SCHEMBL3435275 0.68 LTA4H (0.34) GAATSHRALDH1A1HTTMAPT
SCHEMBL10037346 0.67 DPP4 (0.41) GAATSHRALDH1A1MAPTKDM4E
SCHEMBL4319170 0.66 MEN1 (0.47) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL21969742 0.65 DPP4 (0.39) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL25831625 0.64 MEN1 (0.38) GAATSHRALDH1A1MAPTKDM4E
SCHEMBL6239735 0.63 KMT2A (0.36) GAATSHRALDH1A1MAPTKDM4E

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-20120091437-A1 POLYMER, ORGANIC THIN FILM COMPRISING THE POLYMER, AND ORGANIC THIN-FILM ELEMENT INCLUDING SAME OSAKA UNIVERSITY (JP) 2012-04-19 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-20120091437-A1 POLYMER, ORGANIC THIN FILM COMPRISING THE POLYMER, AND ORGANIC THIN-FILM ELEMENT INCLUDING SAME SLCO2A1, SLC43A1, SLCO2B1 GAA 3746/4885TSHR 4392/4885ALDH1A1 1976/4885

“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.