SCHEMBL13245206

SCHEMBL13245206

CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](C#CC#Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
HAO1 Q9UJM8 5/20 0.35
FFAR1 O14842 1/20 0.34
CYP26A1 O43174 1/20 0.33
CYP3A4 P08684 1/20 0.33
RARA P10276 1/20 0.33
CRABP2 P29373 1/20 0.33
MMP13 P45452 1/20 0.32
NR4A2 P43354 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PTPN11 Q06124 1/20 0.31
PLA2G4B P0C869 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL18691202 1.00 RARB (0.40) RARBRARGHAO1FFAR1CYP26A1
SCHEMBL18691203 1.00 RARB (0.40) RARBRARGHAO1FFAR1CYP26A1
SCHEMBL18691206 0.89 PTPN11 (0.37) PTPN11
SCHEMBL18691208 0.89 PTPN11 (0.37) PTPN11
SCHEMBL13245133 0.89 PTPN11 (0.37) PTPN11
SCHEMBL13245197 0.81 FFAR1 (0.46) RARBRARGHAO1FFAR1CYP26A1
SCHEMBL3022123 0.80 FFAR1 (0.45) RARBRARGHAO1FFAR1CYP26A1
SCHEMBL18712239 0.78 GRM5 (0.45) RARBRARGHAO1FFAR1CYP26A1
SCHEMBL3019877 0.76 FFAR1 (0.46) RARBRARGHAO1FFAR1CYP26A1
SCHEMBL3008201 0.75 HAO1 (0.46) RARBRARGHAO1FFAR1CYP26A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 RARB 1644/4885RARG 2102/4885HAO1 1626/4885

“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.