SCHEMBL6086326

SCHEMBL6086326

CC(C)C1(O)CCC(C)(C)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.39
RXRB P28702 10/20 0.39
RXRG P48443 6/20 0.36
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
RARA P10276 4/20 0.35
CYP26A1 O43174 2/20 0.34
CYP3A4 P08684 1/20 0.34
CRABP2 P29373 1/20 0.34
CYP26B1 Q9NR63 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
SCHEMBL6086569 0.93 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL1140723 0.82 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL29945228 0.82 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL6087329 0.81 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL7645480 0.79 PDK2 (0.37) RXRARXRBRXRGRARBRARG
SCHEMBL6449453 0.78 RXRA (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL6086642 0.77 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL6086519 0.75 MAP3K14 (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL25244202 0.75 RXRA (0.37) RXRARXRBRXRGRARBRARG
SCHEMBL6087176 0.72 MAP3K14 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026487-B2 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, a pyridyl group and an alkyl group, having retinoid-like biological activity ALLERGAN, INC. (US) 2006-04-11 US disclosed
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.