SCHEMBL3484839

SCHEMBL3484839

CC(c1ccc(C(=O)OC(C)(C)C)cc1)C(C=O)CCc1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPT P10636 2/20 0.35
SLC7A5 Q01650 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
RARB P10826 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3484853 0.88 RXRA (0.43) RXRARXRBALDH1A1MAPTMEN1
SCHEMBL3485090 0.83 CYP4A11 (0.39) RXRARXRBALDH1A1CYP4F2CYP4A11
SCHEMBL14011593 0.76 CYP4A11 (0.47) CYP4F2CYP4A11SIRT2SIRT1SLC7A5
SCHEMBL7428977 0.73 CYP4A11 (0.45) CYP4F2CYP4A11SIRT2SIRT1SLC7A5
SCHEMBL9446045 0.73 CYP4A11 (0.42) RXRACYP4F2CYP4A11SIRT2SIRT1
SCHEMBL5383093 0.72 SLC7A5 (0.45) CYP4F2CYP4A11SIRT2SIRT1SLC7A5
SCHEMBL527251 0.72 CA1 (0.54) RXRARXRBALDH1A1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL7374147 0.71 CA1 (0.53) RXRARXRBALDH1A1MAPTKMT2A
SCHEMBL8236165 0.71 CYP4A11 (0.45) ALDH1A1CYP4F2CYP4A11MAPTSLC7A5
SCHEMBL9088078 0.70 CA1 (0.44) ALDH1A1CYP4F2CYP4A11SIRT2SIRT1

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-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 RXRA 501/4885RXRB 700/4885ALDH1A1 468/4885

“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.