SCHEMBL21709221

SCHEMBL21709221

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)c3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 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
SCHEMBL21709224 0.95 ALOX5 (0.34) ALOX5
SCHEMBL21709469 0.90 KMT2A (0.38) ALOX5ALDH1A1MAPT
SCHEMBL21709483 0.90 KMT2A (0.38) ALOX5ALDH1A1MAPT
SCHEMBL21709314 0.89 KMT2A (0.37) ALOX5ALDH1A1MAPT
SCHEMBL21709448 0.88 ALOX5 (0.33) ALOX5
SCHEMBL16383596 0.88 ALOX5 (0.36) ALOX5ALDH1A1MAPT
SCHEMBL21709336 0.88 ALOX5 (0.32) ALOX5
SCHEMBL21709228 0.87 ALOX5 (0.33) ALOX5MAPT
SCHEMBL19239387 0.87 ALOX5 (0.35) ALOX5ALDH1A1MAPT
SCHEMBL17690212 0.85 ALOX5 (0.40) ALOX5

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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT ALOX5 3104/4885ALDH1A1 318/4885MAPT 4008/4885

“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.