SCHEMBL3484835

SCHEMBL3484835

Cc1cc(CC(C=O)CCc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SMO Q99835 1/20 0.33
CYP4A11 Q02928 2/20 0.33
CYP4F2 P78329 1/20 0.33
RXRA P19793 3/20 0.32
NR1H2 P55055 3/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ESRRB O95718 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
SCHEMBL3484841 0.89 NR1H4 (0.40) SLC7A5CA12CA1CA2CA9
SCHEMBL8236165 0.84 CYP4A11 (0.45) SLC7A5CA1CA2CYP4A11CYP4F2
SCHEMBL3485088 0.83 SLC7A5 (0.40) SLC7A5CA12CA1CA2CA9
SCHEMBL3484851 0.79 RARB (0.42) RXRAADRB1ADRB3NR1H4
SCHEMBL3016468 0.74 CYP4A11 (0.53) CA12CA1CA2CA9CA14
SCHEMBL3484856 0.74 NR1H4 (0.41) RXRAADRB1ADRB3NR1H4
SCHEMBL8242478 0.74 CYP4A11 (0.44) SLC7A5CA1CA2CYP4A11CYP4F2
SCHEMBL14213080 0.73 FFAR4 (0.43) SLC7A5CA12CA1CA14RXRA
SCHEMBL3485094 0.72 NR1H4 (0.41) SLC7A5CA12CA1CA2CA9
SCHEMBL14011593 0.72 CYP4A11 (0.47) SLC7A5CA12CA1CA2CA9

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 SLC7A5 896/4885CA12 1185/4885CA1 1123/4885

“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.