SCHEMBL1611265

SCHEMBL1611265

[C]#CC(CCCC)c1ccc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TRPA1 O75762 1/20 0.30
LMNA P02545 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 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
SCHEMBL1611626 0.95 PDE5A (0.36) PDE5AESR1ESR2MEN1ALDH1A1
SCHEMBL1611999 0.90 TAS1R3 (0.33) ESR1ESR2ALDH1A1TRPA1LMNA
SCHEMBL1612811 0.87 PDE5A (0.34) PDE5ACNR1CNR2HRH3LMNA
SCHEMBL1610390 0.83 ESR1 (0.34) ESR1ESR2MEN1KMT2ATRPA1
SCHEMBL1611449 0.83 PDE5A (0.39) PDE5AALDH1A1CNR1CNR2LMNA
SCHEMBL1610757 0.81
SCHEMBL1611234 0.80 ESR1 (0.37) ESR1MEN1ALDH1A1KMT2ACNR2
SCHEMBL1612280 0.79
SCHEMBL1612672 0.78 CRHR1 (0.31)
SCHEMBL1611550 0.77 TAS1R3 (0.33) PDE5AALDH1A1KMT2A

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 PDE5A 3568/4885ESR1 1107/4885ESR2 721/4885

“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.