SCHEMBL19997589

SCHEMBL19997589

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.36
LIPG Q9Y5X9 7/20 0.36
CSF1R P07333 1/20 0.36
PDE4A P27815 1/20 0.35
BACE1 P56817 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HIF1A Q16665 1/20 0.34
CSNK2A1 P68400 2/20 0.34
P2RX7 Q99572 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL15968637 0.94 LPL (0.38) LPLLIPGCSF1RBACE1CA1
SCHEMBL25803846 0.89 SYK (0.44) LPLLIPGCSF1RPDE4ABACE1
SCHEMBL129705 0.85 PDE4A (0.49) PDE4A
SCHEMBL23484600 0.85 CSNK2A1 (0.36) LPLLIPGCSF1RBACE1CA1
SCHEMBL25932163 0.84 PDE4D (0.38) CSF1RPDE4A
SCHEMBL18003997 0.83 POLB (0.38) LPLLIPGCSF1RPDE4ABACE1
SCHEMBL22816386 0.82 CSNK2A1 (0.39) LPLLIPGCSF1RPDE4ABACE1
SCHEMBL24930071 0.82 PDE4A (0.37) LPLLIPGPDE4ABACE1CA1
SCHEMBL129694 0.82 PDE4A (0.52) PDE4A
SCHEMBL30717778 0.82 RORC (0.44) LPLLIPGCSF1RBACE1CA1

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-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 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-20180086767-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 LPL 3073/4885LIPG 3181/4885CSF1R 2687/4885

“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.