SCHEMBL6086366

SCHEMBL6086366

CC1=CCC(C)(C)c2ccc(N)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.35
RARA P10276 8/20 0.35
RARG P13631 8/20 0.35
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PDK2 Q15119 1/20 0.33
CASP1 P29466 3/20 0.32
RXRA P19793 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
PLA2G7 Q13093 1/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6086668 0.86 ALDH1A1 (0.34) RARBRARARARGPDE10AALDH1A1
SCHEMBL6086894 0.79 PDE4B (0.39) RARBRARARARGRXRANR2E1
SCHEMBL6086500 0.78 RARA (0.34) RARBRARARARGPDK2RXRA
SCHEMBL6087831 0.78 HIF1A (0.35) RARBRARARARGALDH1A1PDK2
SCHEMBL6086714 0.78 PDK2 (0.34) RARBRARARARGPDK2RXRA
SCHEMBL8771694 0.76 RARB (0.56) RARBRARARARGRXRANR2E1
SCHEMBL8771833 0.73 RARB (0.52) RARBRARARARGRXRANR2E1
SCHEMBL6086482 0.72 RARB (0.38) RARBRARARARGMAPT
SCHEMBL6086904 0.70 RARB (0.49) RARBRARARARGALDH1A1PDK2
SCHEMBL19151696 0.69 CYP3A4 (0.39) PDE10AALDH1A1CASP1PLA2G7KDM4E

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.