SCHEMBL22402080

SCHEMBL22402080

CC1(C)OB(c2cccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.37
LIPG Q9Y5X9 3/20 0.37
PDK2 Q15119 2/20 0.36
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL20806383 0.93 LIPG (0.43) LPLLIPGPDK2KDM4EMEN1
SCHEMBL20964191 0.93 LIPG (0.39) LPLLIPGPDK2
SCHEMBL105120 0.91 LPL (0.38) LPLLIPGPDK2KDM4EMEN1
SCHEMBL15845388 0.88 LIPG (0.52) LPLLIPGPDK2KDM4EMEN1
SCHEMBL13878215 0.87 LIPG (0.39) LPLLIPGPDK2
SCHEMBL18458011 0.87 LIPG (0.46) LPLLIPGPDK2
SCHEMBL21819759 0.86 LPL (0.47) LPLLIPG
SCHEMBL23273089 0.86 LIPG (0.47) LPLLIPGKDM4EMEN1LMNA
SCHEMBL24542909 0.85 LPL (0.38) LPLLIPGPDK2
SCHEMBL17816875 0.85 LIPG (0.45) LPLLIPGKDM4EMEN1LMNA

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-20200283386-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-10 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-20200283386-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, GPX1, SOD1 LPL 3996/4885LIPG 1534/4885PDK2 461/4885

“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.