SCHEMBL6709648

SCHEMBL6709648

CCCCCCCOc1cc2c(cc1N(CCC)c1ccc(C(=O)OCC)cc1)C(C)=CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARG P37231 1/20 0.40
NR1H3 Q13133 1/20 0.40
THRA P10827 7/20 0.38
THRB P10828 7/20 0.38
HNF4A P41235 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SCN1A P35498 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6086092 1.00 RXRA (0.40) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6086882 0.94 RXRA (0.41) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6086391 0.94 RXRA (0.41) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6087692 0.91 RXRA (0.50) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6087489 0.91 RXRA (0.50) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6086255 0.87 RXRA (0.43) RXRARXRBRXRGNPC1MAPT
SCHEMBL6711113 0.85 RXRA (0.48) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6086909 0.85 RXRA (0.48) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6086489 0.84 RXRA (0.40) RXRARXRBRXRGPPARGNR1H3
SCHEMBL6086125 0.84 RXRA (0.55) RXRARXRBRXRGCYP1A2NPC1

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.