SCHEMBL6087995

SCHEMBL6087995

CCCCCCOc1cc2c(cc1Br)C(C)=CCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
RXRA P19793 2/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
S1PR3 Q99500 2/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PTPN11 Q06124 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6086934 1.00 THRA (0.37) THRATHRBRXRAPPARGNR1H3
SCHEMBL6280517 0.85 HPGD (0.37) RXRAS1PR1KDM4EMEN1KMT2A
SCHEMBL6086211 0.84 THRA (0.35) THRATHRBRXRAPPARGNR1H3
SCHEMBL6086520 0.80 NR3C1 (0.38) MEN1KMT2ATDP1PTPN1ALDH1A1
SCHEMBL6086974 0.79 PTPN1 (0.35) THRATHRBRXRAPPARGNR1H3
SCHEMBL6874366 0.77 RXRA (0.49) THRATHRBRXRAPPARGNR1H3
SCHEMBL6479338 0.76 RXRA (0.47) THRATHRBRXRAPPARGNR1H3
SCHEMBL6281288 0.75 RXRA (0.31) RXRAKDM4ETDP1ALDH1A1MAPT
SCHEMBL6086567 0.75 RXRA (0.31) RXRAHPGD
SCHEMBL339836 0.72 THRA (0.49) THRATHRBS1PR3S1PR2S1PR1

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 THRA 28/4885THRB 22/4885RXRA 13/4885
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 THRA 28/4885THRB 22/4885RXRA 13/4885

“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.