SCHEMBL7757743

SCHEMBL7757743

COC1(C#CC(=O)O)CCCC1c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.38
RARB P10826 4/20 0.36
RARG P13631 4/20 0.36
RXRG P48443 12/20 0.35
RXRB P28702 11/20 0.35
RARA P10276 3/20 0.35
MEN1 O00255 1/20 0.34
CYP26A1 O43174 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 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
SCHEMBL7756285 0.82 RXRA (0.49) RXRARARBRARGRXRGRXRB
SCHEMBL7757942 0.76 RXRA (0.36) RXRARARBRARGRXRGRXRB
SCHEMBL7755808 0.73 RXRA (0.47) RXRARARBRARGRXRGRXRB
SCHEMBL7755803 0.73 RXRA (0.47) RXRARARBRARGRXRGRXRB
SCHEMBL7755812 0.73 RXRA (0.47) RXRARARBRARGRXRGRXRB
SCHEMBL7751745 0.73 RXRA (0.39) RXRARARBRARGRXRGRXRB
SCHEMBL7757748 0.72 RXRA (0.36) RXRARARBRARGRXRGRXRB
SCHEMBL7754550 0.72 RXRA (0.52) RXRARARBRARGRXRGRXRB
SCHEMBL7757676 0.69 RXRA (0.39) RXRARARBRARGRXRGRXRB
SCHEMBL7788780 0.68 RXRA (0.56) RXRARARBRARGRXRGRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034448-A1 New compounds, their preparation and use MURRAY ANTHONY (GB) 2001-10-25 US claimed
EP-1077920-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP claimed
WO-1999058487-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO claimed
US-20010034448-A1 New compounds, their preparation and use MURRAY ANTHONY (GB) 2001-10-25 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-20010034448-A1 New compounds, their preparation and use GPR119, SLC5A1, SLC5A2 RXRA 765/4885RARB 1627/4885RARG 1630/4885

“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.