SCHEMBL6086582

SCHEMBL6086582

CC1=CCC(C)(C)c2cc(C)c(Nc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.46
RARA P10276 11/20 0.46
RARG P13631 11/20 0.46
CYP26A1 O43174 4/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RXRA P19793 7/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PGR P06401 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TBXA2R P21731 2/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL6088130 0.81 MEN1 (0.45) MEN1KMT2ARECQLALDH1A1TSHR
SCHEMBL22836804 0.80 RXRA (0.62) RARBRARARARGCYP26A1RXRA
SCHEMBL4653632 0.77 RARA (0.63) RARBRARARARGCYP26A1RXRA
SCHEMBL4654688 0.77 RARA (0.72) RARBRARARARGCYP26A1RXRA
SCHEMBL8771833 0.76 RARB (0.52) RARBRARARARGRXRA
SCHEMBL6086433 0.75 MEN1 (0.43) MEN1KMT2ARECQLALDH1A1TSHR
SCHEMBL8029781 0.75 RARB (0.57) RARBRARARARGCYP26A1RXRA
SCHEMBL4800900 0.74 RARB (0.52) RARBRARARARGCYP26A1RXRA
SCHEMBL7695986 0.73 MEN1 (0.42) MEN1KMT2ARECQLALDH1A1
SCHEMBL6086727 0.73 RAB9A (0.42) MEN1KMT2ARECQLALDH1A1MAPK1

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 6 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

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 RARB 5/4885RARA 6/4885RARG 15/4885
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 RARB 5/4885RARA 6/4885RARG 15/4885

“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.