SCHEMBL1609902

SCHEMBL1609902

[C]#CC(CCCCC)c1ccc(CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BDKRB2 P30411 5/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HTR2A P28223 1/20 0.34
SLC2A1 P11166 2/20 0.33
CYP2A6 P11509 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP19A1 P11511 1/20 0.31
PRSS1 P07477 1/20 0.31

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
SCHEMBL1610729 0.95 TSHR (0.40) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL1611079 0.88 HTR2A (0.46) TSHRHTR2AS1PR2S1PR1S1PR3
SCHEMBL1610246 0.88 HTR2A (0.43) TSHRHTR2AS1PR2S1PR1CYSLTR2
SCHEMBL1611968 0.88 HTR2A (0.40) TSHRBDKRB2HTR2ACYSLTR2CYSLTR1
SCHEMBL1612260 0.87 TSHR (0.42) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL1612334 0.87 HTR2A (0.49) TSHRHTR2AS1PR2S1PR1S1PR3
SCHEMBL1610908 0.87 HTR2A (0.49) TSHRHTR2AS1PR2S1PR1S1PR3
SCHEMBL1609818 0.87 HTR2A (0.49) TSHRHTR2AS1PR2S1PR1S1PR3
SCHEMBL1610430 0.85 HTR2A (0.46) TSHRHTR2AS1PR2S1PR1S1PR3
SCHEMBL1612159 0.84 HRH3 (0.38) L3MBTL1SLC2A1NR1I2

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 TSHR 2994/4885MAPK1 1601/4885ATM 1470/4885

“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.