SCHEMBL1611550

SCHEMBL1611550

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PDE5A O76074 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL1612811 0.90 PDE5A (0.34) PDE5A
SCHEMBL1611449 0.89 PDE5A (0.39) ALDH1A1PDE5A
SCHEMBL1611999 0.86 TAS1R3 (0.33) TAS1R3TAS1R1ALDH1A1TDP1
SCHEMBL1611091 0.86 ALDH1A1 (0.33) ALDH1A1TDP1TAAR1POLBKMT2A
SCHEMBL1611994 0.79
SCHEMBL1612475 0.79 ESR1 (0.39) POLB
SCHEMBL1611307 0.77
SCHEMBL1611265 0.77 PDE5A (0.32) ALDH1A1PDE5AKMT2A
SCHEMBL1611626 0.76 PDE5A (0.36) ALDH1A1PDE5AKMT2A
SCHEMBL1609738 0.74 FFAR1 (0.36) ALDH1A1TDP1

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 TAS1R3 899/4885TAS1R1 589/4885ALDH1A1 137/4885

“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.