SCHEMBL2009011

SCHEMBL2009011

CC(C)=CC(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
TYR P14679 1/20 0.45
DRD1 P21728 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL14093996 0.83 TRPA1 (0.46) TP53TSHRRXRARXRBKMT2A
SCHEMBL14065837 0.81 RXRA (0.43) TP53TSHRRXRARXRBCA1
SCHEMBL8833495 0.80 TSHR (0.50) TP53TSHRRXRARXRBCA1
SCHEMBL4488292 0.79 PTGS2 (0.61) TP53TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL6688306 0.79 PTGS2 (0.61) TP53TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL9636818 0.78 TSHR (0.48) TP53TSHRRXRARXRBCA1
SCHEMBL10936588 0.78 TSHR (0.52) TP53TSHRRXRARXRBCA1
SCHEMBL9222442 0.77 TRPA1 (0.64) TSHRTYRALDH1A1SMN1; SMN2GLA
SCHEMBL10125275 0.77 NR1H4 (0.42) TP53TSHRRXRARXRBCA1
SCHEMBL8833485 0.75 TSHR (0.55) TP53TSHRRXRARXRBCA1

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 TP53 1709/4885TSHR 2074/4885RXRA 3553/4885

“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.