SCHEMBL14513596

SCHEMBL14513596

CCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.84
KDM1A O60341 1/20 0.73
COL1A1 P02452 2/20 0.70

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
SCHEMBL14513614 0.92 P2RX7 (0.98) P2RX7KDM1ACOL1A1
SCHEMBL13070373 0.90 P2RX7 (0.74) P2RX7KDM1ACOL1A1
SCHEMBL14513606 0.89 P2RX7 (0.88) P2RX7KDM1ACOL1A1
SCHEMBL298305 0.88 P2RX7 (1.00) P2RX7KDM1ACOL1A1
SCHEMBL14513610 0.87 P2RX7 (0.85) P2RX7KDM1ACOL1A1
Dehydrocorydaline SCHEMBL29396913 0.85 KDM1A (1.00) P2RX7KDM1ACOL1A1
Dehydrocorydaline SCHEMBL14513602 0.85 KDM1A (1.00) P2RX7KDM1ACOL1A1
Dehydrocorydaline SCHEMBL28839366 0.84 KDM1A (0.98) P2RX7KDM1ACOL1A1
Dehydrocorydaline SCHEMBL29695423 0.84 KDM1A (0.98) P2RX7KDM1ACOL1A1
SCHEMBL14513612 0.82 P2RX7 (0.89) P2RX7KDM1ACOL1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070098649-A1 Method and composition for controlling oral pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2007-05-03 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-20070098649-A1 Method and composition for controlling oral pathogens BROX, NOP2, FBL P2RX7 2447/4885KDM1A 3745/4885COL1A1 3755/4885

“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.