SCHEMBL135249

SCHEMBL135249

CC(C)(Cn1nc2ccccc2n1)c1cc(CCC(=O)O)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KEAP1 Q14145 1/20 0.38
TP53 P04637 3/20 0.38
MDM2 Q00987 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
FFAR4 Q5NUL3 4/20 0.37
SLC22A12 Q96S37 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLA2G4A P47712 1/20 0.36

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
SCHEMBL3416177 0.82 APP (0.43)
SCHEMBL2491545 0.77 IAPP (0.46) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL5835348 0.77 KDM4E (0.41) TP53MDM2
SCHEMBL6657971 0.76 ALPL (0.40)
SCHEMBL7786552 0.76 RXRA (0.44) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL7955396 0.75 FFAR4 (0.38) FFAR1FFAR4
SCHEMBL1537791 0.75 RXRA (0.53) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL4453981 0.74 NPC1 (0.52) FFAR1KEAP1FFAR4PLA2G4A
Ethylene SCHEMBL30206965 0.73 RXRA (0.50) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL7696200 0.72 APP (0.40)

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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH FFAR1 4210/4885RXRA 1341/4885RXRB 1268/4885

“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.