SCHEMBL6086541

SCHEMBL6086541

CCOC(=O)CCC(C)(C)c1ccc(OC)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.47
CNR2 P34972 4/20 0.47
ESR1 P03372 1/20 0.46
DRD2 P14416 1/20 0.44
VDR P11473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
FDPS P14324 1/20 0.40
TNF P01375 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.39

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
Hydrochloric Acid SCHEMBL7250657 0.87 CNR1 (0.44) CNR1CNR2ESR1DRD2ALDH1A1
SCHEMBL3537131 0.85 CNR2 (0.44) CNR1CNR2DRD2ALDH1A1TNF
SCHEMBL6086103 0.84 FFAR1 (0.46) CNR1CNR2ESR1VDRALDH1A1
SCHEMBL3537531 0.80 CNR1 (0.44) CNR1CNR2ALDH1A1KDM4E
SCHEMBL3486832 0.79 CNR1 (0.47) CNR1CNR2MEN1KMT2AMAOB
SCHEMBL18831747 0.79 ESR1 (0.44) CNR2ESR1DRD2VDRALDH1A1
SCHEMBL6905585 0.77 CYP19A1 (0.44) CNR1CNR2ESR1VDRKDM4E
SCHEMBL1831814 0.77 KMT2A (0.45) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL4677396 0.77 CNR1 (0.42) CNR1CNR2ESR1
SCHEMBL1809731 0.77 GRIN2D (0.49) CNR1CNR2ALDH1A1MEN1KMT2A

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 CNR1 354/4885CNR2 811/4885ESR1 149/4885
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 CNR1 354/4885CNR2 811/4885ESR1 149/4885

“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.