SCHEMBL12543763

SCHEMBL12543763

CC(C)c1cccc(-c2ccccc2C(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.59
CTSA P10619 2/20 0.53
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
FADS1 O60427 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
NR4A2 P43354 1/20 0.45
CHEK1 O14757 1/20 0.45
PLA2G10 O15496 3/20 0.44
PLA2G2A P14555 3/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G5 P39877 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
PLA2G12B Q9BX93 1/20 0.44
PLA2G12A Q9BZM1 1/20 0.44
PLA2G2F Q9BZM2 1/20 0.44
PLA2G3 Q9NZ20 1/20 0.44
PLA2G2E Q9NZK7 1/20 0.44

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
SCHEMBL5151189 0.86 RXRA (0.58) BCAT2CTSARXRARXRBRXRG
SCHEMBL28025564 0.84 RXRA (0.51) BCAT2CTSARXRARXRBRXRG
SCHEMBL10908563 0.83 BCAT2 (0.77) BCAT2CTSAKEAP1NFE2L2CHEK1
SCHEMBL2563193 0.82 BCAT2 (0.65) BCAT2CTSAKEAP1NFE2L2CHEK1
SCHEMBL19697976 0.81 BCAT2 (0.50) BCAT2CTSAKEAP1NFE2L2CHEK1
SCHEMBL24721247 0.79 PTPN5 (0.48) RXRARXRBRXRGNR4A2ALOX5AP
SCHEMBL9177215 0.79 RXRA (0.50) RXRARXRBRXRGNR4A2PTPN5
SCHEMBL16149659 0.79 BCAT2 (0.91) BCAT2KEAP1NFE2L2CHEK1NPC1
SCHEMBL6667275 0.79 BCAT2 (0.65) BCAT2CTSAKEAP1NFE2L2CHEK1
SCHEMBL27958761 0.79 RXRA (0.43) CTSARXRARXRBRXRGFADS1

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-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 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-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 BCAT2 2484/4885CTSA 4365/4885RXRA 3285/4885

“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.