SCHEMBL23376381

SCHEMBL23376381

CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
ALK Q9UM73 1/20 0.31
AHR P35869 1/20 0.30
PGR P06401 1/20 0.30
ALOX5 P09917 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL23376466 0.96 HCRTR1 (0.34) HCRTR1MMP12MMP13ALKAHR
SCHEMBL26059841 0.95 MMP12 (0.32) HCRTR1MMP12MMP13ALK
SCHEMBL26059842 0.95 MMP12 (0.32) HCRTR1MMP12MMP13ALK
SCHEMBL26058848 0.95 HCRTR1 (0.32) HCRTR1MMP12MMP13ALKAHR
SCHEMBL26059839 0.95 MMP12 (0.34) HCRTR1MMP12MMP13ALKAHR
SCHEMBL26059847 0.95 MMP12 (0.34) HCRTR1MMP12MMP13ALKAHR
SCHEMBL26059848 0.95 MMP12 (0.34) HCRTR1MMP12MMP13ALKAHR
SCHEMBL20806527 0.95 HCRTR1 (0.34) HCRTR1MMP12MMP13ALKAHR
SCHEMBL26059837 0.94 MMP12 (0.32) HCRTR1MMP12MMP13ALK
SCHEMBL26016413 0.94 MMP12 (0.32) HCRTR1MMP12MMP13ALK

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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES HCRTR1 4502/4885MMP12 4175/4885MMP13 4295/4885

“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.