SCHEMBL3484841

SCHEMBL3484841

Cc1cc(CCC(C=O)Cc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
SLC7A5 Q01650 1/20 0.38
RARB P10826 1/20 0.34
RXRA P19793 1/20 0.33
RHEB Q15382 2/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ATM Q13315 1/20 0.33
RXRB P28702 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMO Q99835 1/20 0.32
SRD5A2 P31213 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN2A Q12879 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
SCHEMBL3484835 0.89 SLC7A5 (0.39) NR1H4SLC7A5RXRAADRB1ADRB3
SCHEMBL3484856 0.86 NR1H4 (0.41) NR1H4RARBRXRAADRB1ADRB3
SCHEMBL3485094 0.84 NR1H4 (0.41) NR1H4SLC7A5RARBRXRARHEB
SCHEMBL8236165 0.82 CYP4A11 (0.45) SLC7A5ATMCA1CA2
SCHEMBL3484851 0.82 RARB (0.42) NR1H4RARBRXRAADRB1ADRB3
SCHEMBL3596234 0.74 NR1H4 (0.40) NR1H4RARBRXRAADRB1ADRB3
SCHEMBL17864530 0.73 RXRB (0.47) NR1H4SLC7A5RXRAATMRXRB
SCHEMBL3485088 0.73 SLC7A5 (0.40) NR1H4SLC7A5RXRAADRB1ADRB3
SCHEMBL3016468 0.72 CYP4A11 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8242478 0.72 CYP4A11 (0.44) SLC7A5CA1CA2

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 NR1H4 852/4885SLC7A5 896/4885RARB 1092/4885

“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.