SCHEMBL21250643

SCHEMBL21250643

c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3-c3ccc(-c5ccc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)cc6)cc5)cc3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
AHR P35869 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19001955 0.95 PDK2 (0.32) PDK2PLA2G2APLA2G4AMEN1THRB
SCHEMBL19001767 0.94 PLA2G2A (0.33) PDK2PLA2G2APLA2G4A
SCHEMBL19001763 0.94 MMP12 (0.33) PDK2AHRPLA2G2APLA2G4AMEN1
SCHEMBL23222590 0.94 MMP12 (0.32) PDK2
SCHEMBL19167299 0.93 AHR (0.32) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL15213958 0.93 AHR (0.32) AHRPLA2G2APLA2G4AMEN1KMT2A
SCHEMBL19167384 0.93 AHR (0.32) AHRPLA2G2APLA2G4AMEN1THRB
SCHEMBL19010993 0.93 AHR (0.32) AHRPLA2G2APLA2G4AMEN1THRB
SCHEMBL15213678 0.93 AHR (0.32) AHRPLA2G2APLA2G4AMEN1THRB
SCHEMBL23278403 0.93

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-10381576-B2 Electronic device having an amine containing layer processed from solution MERCK PATENT GMBH (DE) 2019-08-13 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-10381576-B2 Electronic device having an amine containing layer processed from solution OCIAD1, OCIAD2, AOC2 PDK2 1331/4885AHR 3573/4885PLA2G2A 1569/4885

“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.