SCHEMBL1611331

SCHEMBL1611331

CC[CH]c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
SLC6A2 P23975 2/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ESR2 Q92731 3/20 0.34
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALDH3A1 P30838 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
SCHEMBL1612100 0.85 ESR1 (0.47) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1609924 0.82 ESR1 (0.44) ESR1THRATHRBESR2ALDH1A1
SCHEMBL2646831 0.82 ESR1 (0.52) ESR1THRATHRBALDH1A1LMNA
SCHEMBL1611759 0.81 ESR1 (0.42) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL6685103 0.80 ESR1 (0.74) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1611532 0.79 ESR1 (0.41) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1611578 0.79 ESR1 (0.41) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1612743 0.79 ESR1 (0.54) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL1611980 0.77 THRA (0.53) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL2186171 0.77 ALDH1A1 (0.42) ESR1ESR2ALDH1A1LMNAMAPT

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.