SCHEMBL2904508

SCHEMBL2904508

CCC(C)c1cc(=O)n2cccc(O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.58
GLA P06280 1/20 0.58
MPI P34949 1/20 0.58
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
BLM P54132 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL2905367 0.90 KDM4E (0.56) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2899752 0.86 ALDH1A1 (0.64) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2905445 0.77 KDM4E (0.64) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2901489 0.77 KDM4E (0.59) KDM4EALDH1A1GAALMNAGLA
SCHEMBL7011577 0.75 KDM4E (0.97) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2906516 0.75 KDM4E (0.61) KDM4EALDH1A1GAALMNAGLA
SCHEMBL13050024 0.75 KDM4E (0.69) KDM4EALDH1A1GAALMNAGLA
SCHEMBL17808944 0.74 LMNA (0.56) KDM4EALDH1A1GAALMNAGLA
SCHEMBL19361114 0.73 LMNA (0.58) KDM4EALDH1A1GAALMNAGLA
SCHEMBL3676964 0.73 ALDH1A1 (0.58) KDM4EALDH1A1GAALMNAGLA

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 8 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
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 KDM4E 497/4885ALDH1A1 2904/4885GAA 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.