SCHEMBL1611158

SCHEMBL1611158

[C]#CC(CCC)c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL1610681 0.90 ESR1 (0.38) ESR1ESR2THRATHRB
SCHEMBL1611914 0.89 ESR1 (0.37) ESR1ESR2THRATHRB
SCHEMBL1612757 0.86 ESR1 (0.42) ESR1ESR2THRATHRB
SCHEMBL1612260 0.82 TSHR (0.42) ESR1ESR2
SCHEMBL1611526 0.81 ACACB (0.38) ESR1ESR2THRB
SCHEMBL1610629 0.79 GRIA4 (0.42)
SCHEMBL3113765 0.78 CA2 (0.41) ESR1THRATHRB
SCHEMBL1612164 0.77 FFAR1 (0.36) ESR1ESR2
SCHEMBL1609738 0.77 FFAR1 (0.36) ESR1ESR2
SCHEMBL1611893 0.77 HTR2A (0.46) ESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 (1 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ESR1 1107/4885ESR2 721/4885THRA 2721/4885

“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.