SCHEMBL2000487

SCHEMBL2000487

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 2/20 0.43
ANPEP P15144 1/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
RXRG P48443 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL10936588 0.83 TSHR (0.52) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL6688306 0.81 PTGS2 (0.61) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8833485 0.81 TSHR (0.55) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL4488292 0.81 PTGS2 (0.61) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL2025812 0.79 TSHR (0.50) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL5569785 0.79 TSHR (0.52) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL1929898 0.78 TSHR (0.71) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL4438514 0.78 TSHR (0.71) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL9577279 0.78 TSHR (0.50) TSHRTP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL9671536 0.77 TSHR (0.55) TSHRTP53KMT2AALDH1A1SMN1; SMN2

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 2074/4885TP53 1709/4885KMT2A 95/4885

“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.