SCHEMBL3676964

SCHEMBL3676964

CCCCc1cc(=O)n2cccc(O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 4/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 1/20 0.58
GLA P06280 1/20 0.58
MPI P34949 1/20 0.58
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 2/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
APLNR P35414 2/20 0.37
BCAT2 O15382 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
SCHEMBL2905604 0.96 KDM4E (0.57) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL2906516 0.92 KDM4E (0.61) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL2905445 0.86 KDM4E (0.64) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL17808862 0.84 KDM4E (0.55) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL17808876 0.83 KDM4E (0.51) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL17808866 0.83 KDM4E (0.54) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL19365008 0.82 KDM4E (0.53) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL17808873 0.82 KDM4E (0.53) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL17802261 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EGAALMNAGLA
SCHEMBL19361114 0.81 LMNA (0.58) ALDH1A1KDM4EGAALMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
EP-2215910-A1 QUORUM SENSING INHIBITOR The University of Tokyo (JP) 2010-08-11 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-20100256369-A1 QUORUM SENSING INHIBITOR BLVRB, API5, Q6ZSR9 ALDH1A1 2904/4885KDM4E 497/4885GAA 4383/4885

“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.