SCHEMBL6086597

SCHEMBL6086597

CC(=O)Nc1ccc2c(c1)C(C(C)C)=CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
MAOA P21397 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PDK2 Q15119 2/20 0.42
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
RARA P10276 2/20 0.41
RARG P13631 2/20 0.41
GAA P10253 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL6086904 0.82 RARB (0.49) RARBMAOANPC1RAB9AMEN1
SCHEMBL6085646 0.79 PDK2 (0.45) RARBMAOANPC1RAB9AMEN1
SCHEMBL6087053 0.79 RARB (0.44) RARBMAOANPC1RAB9AMEN1
SCHEMBL6087831 0.73 HIF1A (0.35) RARBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8031336 0.73 CYP3A4 (0.40) RARBMAPTPDK2RARARARG
SCHEMBL8026052 0.71 RARB (0.41) RARBMAPTPDK2RARARARG
SCHEMBL9380015 0.70 CA12 (0.47) MAOANPC1RAB9AMEN1MAPT
SCHEMBL8026053 0.70 RARA (0.53) RARBNPC1RAB9AMEN1MAPT
SCHEMBL8032218 0.70 RARA (0.68) RARBRARARARG
SCHEMBL3935697 0.69 RARB (0.64) RARBMAOAMEN1MAPTKMT2A

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 5/4885MAOA 1075/4885NPC1 2325/4885
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 5/4885MAOA 1075/4885NPC1 2325/4885

“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.