SCHEMBL2007389

SCHEMBL2007389

CCCCCC/C=C/c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TNNC1 P63316 1/20 0.48
MGLL Q99685 1/20 0.40
CYP2A6 P11509 1/20 0.40
FBP1 P09467 1/20 0.40
KCNH2 Q12809 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
CYP19A1 P11511 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL15688832 1.00 TSHR (0.49) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL2007392 1.00 TSHR (0.49) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL24352161 1.00 TSHR (0.49) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL15688808 1.00 TSHR (0.49) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL9827727 0.98 TSHR (0.46) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL9827715 0.98 TSHR (0.46) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL9827722 0.98 TSHR (0.46) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL8621675 0.94 TNNC1 (0.43) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL8621670 0.94 TNNC1 (0.43) TSHRHSD17B10TNNC1MGLLCYP2A6
SCHEMBL15688739 0.93 TSHR (0.44) TSHRHSD17B10TNNC1MGLLCYP2A6

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-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 US 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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF TSHR 2074/4885HSD17B10 3287/4885TNNC1 3618/4885

“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.