SCHEMBL1611294

SCHEMBL1611294

[CH]=CCCc1ccc(C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.36
CNR1 P21554 1/20 0.36
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL1610850 0.88 SKP2 (0.42) SKP2CNR1ESR1ESR2LMNA
SCHEMBL1611829 0.86 SKP2 (0.41) SKP2CNR1CYP3A4CYP2D6CYP1A2
SCHEMBL1611860 0.85 SKP2 (0.40) SKP2CNR1CYP3A4CYP2D6CYP1A2
SCHEMBL1611204 0.85 SKP2 (0.40) SKP2CNR1CYP3A4CYP2D6CYP1A2
SCHEMBL27464297 0.81 SKP2 (0.37) SKP2CNR1ESR1ESR2ALDH1A1
SCHEMBL29380988 0.79 PTGS1 (0.45) SKP2CNR1ESR1ESR2ALDH1A1
SCHEMBL29597103 0.79 PTGS1 (0.45) SKP2CNR1ESR1ESR2ALDH1A1
SCHEMBL311370 0.79 PTGS1 (0.45) SKP2CNR1ESR1ESR2ALDH1A1
SCHEMBL585480 0.79 CNR1 (0.39) SKP2CNR1ESR1ESR2ALDH1A1
SCHEMBL12802112 0.79 MAPT (0.36) SKP2CNR1ESR1ESR2ALDH1A1

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 SKP2 273/4885CNR1 3215/4885ESR1 1107/4885

“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.