SCHEMBL22480353

SCHEMBL22480353

CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c5cccc6c5oc5ccccc56)cc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
GGPS1 O95749 1/20 0.35
PRKDC P78527 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL25814769 0.98 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2
SCHEMBL25814857 0.97 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2
SCHEMBL25814699 0.97 ALOX5 (0.38) ALOX5GGPS1PRKDCPTGES2
SCHEMBL20127775 0.96 ALOX5 (0.38) ALOX5GGPS1PRKDCPTGES2
SCHEMBL16996195 0.96 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2
SCHEMBL25814718 0.96 ALOX5 (0.36) ALOX5GGPS1PRKDC
SCHEMBL25814786 0.95 ALOX5 (0.36) ALOX5GGPS1PRKDC
SCHEMBL22183045 0.95 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2
SCHEMBL17804742 0.94 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2
SCHEMBL25814948 0.93 ALOX5 (0.37) ALOX5GGPS1PRKDCPTGES2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-01 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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES DDC, CHRM5, AFF2 ALOX5 2670/4885GGPS1 2850/4885PRKDC 1192/4885

“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.