SCHEMBL6086642

SCHEMBL6086642

CC1(C)CCC(C)(O)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.39
RXRB P28702 10/20 0.39
RARB P10826 9/20 0.39
RARG P13631 8/20 0.39
RXRG P48443 6/20 0.39
RARA P10276 6/20 0.37
CYP26A1 O43174 2/20 0.36
CYP3A4 P08684 1/20 0.36
CRABP2 P29373 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6087329 0.93 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL1140723 0.86 RXRA (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL29945228 0.86 RXRA (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL6086569 0.81 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL7730607 0.80 RXRA (0.38) RXRARXRBRARBRARGRXRG
SCHEMBL6087176 0.80 MAP3K14 (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6086326 0.77 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL19343350 0.77 GABRA1 (0.43) RXRARXRBRARBRARGRXRG
SCHEMBL6086519 0.76 MAP3K14 (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6234031 0.76 RXRA (0.37) RXRARXRBRARBRARGRXRG

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 7 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
EP-1265848-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-12-18 EP disclosed
WO-2001070668-A2 AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2001-09-27 WO disclosed
WO-2000059861-A1 SELECTIVE RETINOIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-12 WO 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 12/4885RARB 5/4885
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 12/4885RARB 5/4885

“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.