SCHEMBL3685420

SCHEMBL3685420

c1ccc([PH]23CC4CC(CC(C4)C2)C3)c(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL1734830 0.82 P2RX7 (0.39) P2RX7MEN1KMT2AEPHX2
SCHEMBL2830096 0.81 P2RX7 (0.38) P2RX7MEN1KMT2AEPHX2
SCHEMBL3010091 0.78
SCHEMBL2011441 0.75
SCHEMBL3000346 0.74 P2RX7 (0.34) P2RX7MEN1KMT2AEPHX2
SCHEMBL1735054 0.73 P2RX7 (0.32) P2RX7MEN1KMT2AEPHX2
SCHEMBL727665 0.73 CYP2D6 (0.44) MEN1KMT2AEPHX2
SCHEMBL1734016 0.72 P2RX7 (0.35) P2RX7MEN1KMT2AEPHX2
SCHEMBL289717 0.71 OPRK1 (0.42) P2RX7MEN1KMT2AEPHX2
SCHEMBL2170720 0.71 P2RX7 (0.32) P2RX7MEN1KMT2AEPHX2

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-20100022799-A1 CARBONYLATION OF CONJUGATED DIENES LUCITE INTERNATIONAL UK LIMITED (GB) 2010-01-28 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-20100022799-A1 CARBONYLATION OF CONJUGATED DIENES CBR3, CBR1, CA5B P2RX7 1127/4885MEN1 2774/4885KMT2A 1801/4885

“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.