SCHEMBL1612652

SCHEMBL1612652

[C]#CCCCCCc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
HRH3 Q9Y5N1 1/20 0.42
NAAA Q02083 2/20 0.42
SLC5A2 P31639 1/20 0.41
IDO1 P14902 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DAO P14920 2/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
FDPS P14324 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL1612269 1.00 TAAR1 (0.50) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL1610626 0.98 TAAR1 (0.52) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL1610656 0.93 TAAR1 (0.53) TAAR1HRH3SLC5A2IDO1HDAC3
SCHEMBL1611420 0.85 TAAR1 (0.57) TAAR1HRH3SLC5A2IDO1DAO
SCHEMBL8092438 0.85 TAAR1 (0.65) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL8094389 0.85 TAAR1 (0.65) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL8095693 0.85 TAAR1 (0.65) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL8086943 0.85 TAAR1 (0.65) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL8093918 0.85 TAAR1 (0.65) TAAR1HRH3NAAASLC5A2IDO1
SCHEMBL8102622 0.85 TAAR1 (0.65) TAAR1HRH3NAAASLC5A2IDO1

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 TAAR1 772/4885HRH3 119/4885NAAA 4756/4885

“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.