SCHEMBL6086909

SCHEMBL6086909

CCCCCCCOc1cc2c(cc1N(CC)c1ccc(C(=O)O)cc1)C(C)=CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.48
PPARG P37231 1/20 0.48
NR1H3 Q13133 1/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
PTPN11 Q06124 1/20 0.43
HNF4A P41235 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL6711113 1.00 RXRA (0.48) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6087489 0.94 RXRA (0.50) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6087692 0.94 RXRA (0.50) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6086882 0.91 RXRA (0.41) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6086391 0.91 RXRA (0.41) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6708488 0.89 RXRA (0.47) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6086640 0.86 RXRA (0.50) RXRARXRBRXRGHNF4AHPGD
SCHEMBL6709648 0.85 RXRA (0.40) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6086092 0.85 RXRA (0.40) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL6086465 0.85 RXRA (0.47) RXRAPPARGNR1H3RXRBRXRG

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 RXRA 13/4885PPARG 73/4885NR1H3 46/4885
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 13/4885PPARG 73/4885NR1H3 46/4885

“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.