SCHEMBL1611091

SCHEMBL1611091

[C]#CC(CC)c1cc(C)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 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
SCHEMBL1611550 0.86 TAS1R3 (0.33) ALDH1A1TDP1TAAR1KMT2APOLB
SCHEMBL1610390 0.85 ESR1 (0.34) TDP1KMT2ANR3C1NR3C2LMNA
SCHEMBL1612811 0.83 PDE5A (0.34) LMNA
SCHEMBL1611449 0.82 PDE5A (0.39) ALDH1A1LMNA
SCHEMBL1610449 0.78
SCHEMBL1611729 0.77 ESR1 (0.42) ALDH1A1KMT2ALMNAMEN1
SCHEMBL1612302 0.76
SCHEMBL1611581 0.75 ALDH1A1 (0.37) ALDH1A1TDP1TAAR1KMT2APOLB
SCHEMBL1611263 0.72 FFAR1 (0.38) ALDH1A1TDP1KMT2APOLBLMNA
SCHEMBL27391010 0.72 TSHR (0.42) ALDH1A1TDP1TAAR1KMT2APOLB

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 ALDH1A1 137/4885TDP1 2129/4885TAAR1 772/4885

“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.