SCHEMBL1611299

SCHEMBL1611299

[CH]=CCCc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SLC6A2 P23975 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ESR2 Q92731 1/20 0.31
GFER P55789 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL1610821 0.88 ESR1 (0.45) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1612043 0.86 ESR1 (0.44) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1610624 0.85 ESR1 (0.42) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1610955 0.85 ESR1 (0.42) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1612731 0.79 KCNH2 (0.47)
SCHEMBL157134 0.79 ESR1 (0.48) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1609589 0.78 ESR1 (0.52) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL6685103 0.76 ESR1 (0.74) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1611960 0.76 CYP1A2 (0.50) HRH1TAAR1
SCHEMBL1612798 0.76 LPL (0.45) THRB

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 1107/4885THRA 2721/4885THRB 2154/4885

“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.