SCHEMBL6068352

SCHEMBL6068352

C=C(C=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.61
RXRA P19793 2/20 0.56
NR1I2 O75469 1/20 0.50
NR4A2 P43354 1/20 0.50
PDE4D Q08499 1/20 0.50
HMGCR P04035 2/20 0.48
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
SCN9A Q15858 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
POLB P06746 1/20 0.36
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1744135 0.84 PRKAA2 (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6068355 0.84 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL13861857 0.82 PRKAA2 (0.65) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL28325787 0.82 PRKAA2 (0.58) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL28143562 0.82 PRKAA2 (0.58) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL526170 0.81 PRKAA2 (0.62) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL526168 0.81 PRKAA2 (0.62) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL244423 0.80 RXRA (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL29419163 0.80 RXRA (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL18791302 0.80 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D

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-7064209-B2 Process for producing optically active oxoheptenoic acid ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-20 US disclosed
US-20050054853-A1 Process for producing optically active oxoheptenoic acid ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-10 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-20050054853-A1 Process for producing optically active oxoheptenoic acid ester SQLE, APEH, THOP1 PRKAA2 2002/4885RXRA 881/4885NR1I2 1630/4885

“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.