SCHEMBL5040066

SCHEMBL5040066

COc1cccc2ccc(=O)n(CC(=O)O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
CCR2 P41597 1/20 0.46
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FDPS P14324 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL29143300 0.85 HTR6 (0.44) HTR6CCR2POLBSMN1; SMN2KDM4E
SCHEMBL11999976 0.84 MEN1 (0.52) HTR6TP53KDM4EKMT2AMEN1
SCHEMBL12002188 0.82 HTR6 (0.50) HTR6CCR2KDM4EKMT2AMEN1
SCHEMBL2799840 0.81 HTR6 (0.47) HTR6CCR2POLBKDM4EKMT2A
SCHEMBL2797396 0.78 HTR6 (0.47) HTR6CCR2SMN1; SMN2KDM4EKMT2A
SCHEMBL1140151 0.77 PTGER3 (0.51) PTGDR2
SCHEMBL28831998 0.76 SMN1; SMN2 (0.41) HTR6SMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL2797891 0.75 CCR2 (0.40) CCR2TP53PTGDR2KDM4EKMT2A
SCHEMBL98218 0.75 CYP19A1 (0.54) HTR6POLBSMN1; SMN2KDM4EKMT2A
SCHEMBL28832015 0.74 ALDH1A1 (0.38) HTR6POLBSMN1; SMN2TP53KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 HTR6 4440/4885CCR2 3332/4885POLB 314/4885

“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.