SCHEMBL6715212

SCHEMBL6715212

CCC1=CCC(C)(C)c2cc(C)c(N(CC)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.66
RXRB P28702 13/20 0.66
RXRG P48443 13/20 0.66
RARB P10826 8/20 0.41
RARG P13631 8/20 0.41
RARA P10276 7/20 0.41
MEN1 O00255 1/20 0.37
CYP26A1 O43174 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL6086750 0.96 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL6087094 0.89 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL6087155 0.89 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL6087434 0.86 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL6088116 0.86 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL6087371 0.85 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL6086139 0.85 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL6087032 0.85 RXRA (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL6087992 0.82 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL6710861 0.82 RXRA (0.64) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097733-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity BEARD RICHARD L (US) 2004-05-20 US disclosed
US-20030166932-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity ALLERGAN SALES, INC. 2003-09-04 US disclosed
US-6613917-B1 Retinoid agonist, antagonist or negative hormone-like biological activity ALLERGAN, INC. 2003-09-02 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 (2 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-20030166932-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity NR4A1, NR2E3, NR0B1 RXRA 13/4885RXRB 12/4885RXRG 17/4885
US-20040097733-A1 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity NR4A1, NR2E3, NR0B1 RXRA 13/4885RXRB 12/4885RXRG 17/4885

“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.