SCHEMBL2009013

SCHEMBL2009013

CCc1cc(C=C(C)C)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
HSD17B1 P14061 1/20 0.42
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40

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
SCHEMBL9519046 0.85 RARA (0.39) RARARARBRARGRXRARXRB
SCHEMBL9517755 0.82 UNG (0.47) RARARARBRARGRXRARXRB
SCHEMBL1451927 0.81 MCL1 (0.46) RARARARBRARGRXRARXRB
SCHEMBL13544046 0.79 RXRB (0.42) RARARARBRARGRXRARXRB
SCHEMBL2010538 0.78 PTPN1 (0.58) PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL2010536 0.78 PTPN1 (0.58) PTPN1PTPN2PTPN6L3MBTL1
SCHEMBL2770912 0.77 DCLRE1B (0.59) RARARARBRARGRXRARXRB
SCHEMBL21071933 0.77 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8128040 0.75 ALDH1A1 (0.56) PTPN1KDM4EPTPN2PTPN6ALDH1A1
SCHEMBL182142 0.74 ALDH1A1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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 RARA 2607/4885RARB 2297/4885RARG 3112/4885

“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.