SCHEMBL22309367

SCHEMBL22309367

c1ccc(-c2cccc3c2sc2c(-c4cccc5c4oc4ccccc45)cccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.49
▸ LIMK1 P53667 1/20 0.43
▸ PRKDC P78527 9/20 0.41
▸ GGPS1 O95749 1/20 0.41
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CDC14B O60729 1/20 0.36
▸ CDC14A Q9UNH5 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36

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
SCHEMBL21659069 0.92 ALOX5 (0.55) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL17057228 0.90 ALOX5 (0.52) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL21907404 0.90 ALOX5 (0.43) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL21432779 0.90 ALOX5 (0.43) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL21433058 0.90 ALOX5 (0.46) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL21427987 0.89 ALOX5 (0.47) ALOX5PRKDCGGPS1PIK3CDPIK3CB
SCHEMBL24171093 0.88 ALOX5 (0.59) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL21658814 0.88 ALOX5 (0.42) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL23349563 0.88 ALOX5 (0.42) ALOX5LIMK1PRKDCGGPS1PIK3CD
SCHEMBL17057163 0.88 ALOX5 (0.56) ALOX5LIMK1PRKDCGGPS1PTGES2

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-20200251660-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2020-08-06 — — 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-20200251660-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES DDT, ESD, ETFA ALOX5 349/4885LIMK1 1665/4885PRKDC 2785/4885

“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.

Send feedback