SCHEMBL5881173

SCHEMBL5881173

O=C(O)C1(CCCc2ccccc2)CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.39
AR P10275 5/20 0.35
CHEK1 O14757 1/20 0.35
ABL1 P00519 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
LTK P29376 1/20 0.35
MAPK8 P45983 1/20 0.35
CDK8 P49336 1/20 0.35
GSK3B P49841 1/20 0.35
CDK9 P50750 1/20 0.35
NEK2 P51955 1/20 0.35
ACVR1 Q04771 1/20 0.35
MAP4K2 Q12851 1/20 0.35
PRKAA1 Q13131 1/20 0.35
MAPK14 Q16539 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
AURKB Q96GD4 1/20 0.35
MEN1 O00255 3/20 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
SCHEMBL6608333 0.85 CGAS (0.40) CGASARCHEK1ABL1MET
SCHEMBL5880943 0.81 ACHE (0.44) MEN1KMT2ALMNAMAPT
SCHEMBL5881038 0.79 ALDH1A1 (0.33) CGASMEN1KMT2AALDH1A1LMNA
SCHEMBL5881169 0.73 KDM4E (0.33) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5880978 0.69 KMT2A (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL21501013 0.67 HDAC3 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL26015729 0.62 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL25353570 0.62 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24604163 0.61 SLC6A3 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL26015743 0.60 CYP4F2 (0.43) MEN1KMT2AALDH1A1LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US claimed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 US claimed
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed
EP-1453803-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) Zentaris GmbH (DE) 2004-09-08 EP disclosed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 US disclosed
WO-2003051837-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) ZENTARIS GMBH (DE) 2003-06-26 WO 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-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) GPR4, GPR88, GPR35 CGAS 3088/4885AR 174/4885CHEK1 4173/4885

“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.