SCHEMBL2800552

SCHEMBL2800552

CCC(C(=O)O)n1c(=O)ccc2cccc(OC)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
CCR2 P41597 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
POLB P06746 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL5040066 0.73 HTR6 (0.47) HTR6CCR2KDM4EALDH1A1HPGD
SCHEMBL12002188 0.72 HTR6 (0.50) HTR6CCR2KDM4EALDH1A1CYP19A1
SCHEMBL98218 0.71 CYP19A1 (0.54) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL346784 0.70 MAPT (0.35) CCR2KDM4EALDH1A1POLBCA12
SCHEMBL2798839 0.70 POLB (0.52) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL347381 0.70 LMNA (0.35) ALDH1A1POLBCA12CA1CA2
SCHEMBL11999976 0.69 MEN1 (0.52) HTR6KDM4EALDH1A1HSD17B10TSHR
SCHEMBL2799840 0.69 HTR6 (0.47) HTR6CCR2KDM4EALDH1A1HPGD
SCHEMBL29143300 0.68 HTR6 (0.44) HTR6CCR2KDM4EALDH1A1CYP19A1
SCHEMBL2797396 0.66 HTR6 (0.47) HTR6CCR2KDM4EALDH1A1HPGD

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-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 HTR6 4735/4885CCR2 433/4885KDM4E 2360/4885

“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.