SCHEMBL13633791

SCHEMBL13633791

CCn1c(C)ccc1-c1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
PGR P06401 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL18883308 0.86 PGR (0.47) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL16558089 0.81 PGR (0.49) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL17747396 0.81 PGR (0.44) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL18700271 0.79 PGR (0.50) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL15591207 0.76 KDM4E (0.36) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL14360472 0.76 MAPK13 (0.39) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL18888318 0.76 SLC6A2 (0.53) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL12471766 0.74 PGR (0.48) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL23983079 0.71 SLC6A2 (0.44) ADORA3PGRCHRM1TBXA2RPTGS1
SCHEMBL18413078 0.70 PGR (0.60) ADORA3PGRCHRM1TBXA2RPTGS1

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 ADORA3 152/4885PGR 3869/4885CHRM1 2345/4885

“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.