SCHEMBL6086211

SCHEMBL6086211

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
RXRA P19793 5/20 0.35
S1PR3 Q99500 2/20 0.33
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PTPN11 Q06124 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PTPN1 P18031 1/20 0.32
PDE5A O76074 1/20 0.31
SMPD1 P17405 3/20 0.31
HNF4A P41235 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
SCHEMBL6086974 0.95 PTPN1 (0.35) THRATHRBRXRAPPARGNR1H3
SCHEMBL6086567 0.92 RXRA (0.31) RXRAPDE5A
SCHEMBL6087079 0.87 HTR2A (0.32) RXRAHNF4A
SCHEMBL6086934 0.84 THRA (0.37) THRATHRBRXRAS1PR3PPARG
SCHEMBL6087995 0.84 THRA (0.37) THRATHRBRXRAS1PR3PPARG
SCHEMBL6086294 0.81 HTR2A (0.35)
SCHEMBL6088216 0.79 HTR2A (0.33)
SCHEMBL6086506 0.77 HTR7 (0.37) THRATHRB
SCHEMBL6087257 0.76 SLC6A4 (0.31)
SCHEMBL6087856 0.76 GPR84 (0.35) 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.