SCHEMBL5880934

SCHEMBL5880934

O=C(O)C1(CCCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 10/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL21501013 0.88 HDAC3 (0.50) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL5881158 0.83 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL25353570 0.81 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL4346990 0.80 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL26015729 0.79 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL5880956 0.78 GAA (0.39) HTTALDH1A1KMT2AMEN1MAPK1
SCHEMBL5881047 0.78 OPRM1 (0.54) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL31601155 0.78 CYP4F2 (0.34) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL5881006 0.78 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL21826552 0.78 KEAP1 (0.47) ALDH1A1LMNAKMT2AMEN1MAPK1

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-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 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-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) GPR4, GPR88, GPR35 HTT 1260/4885ALDH1A1 4522/4885LMNA 4253/4885

“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.