SCHEMBL20761854

SCHEMBL20761854

c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6c(c5)-c5ccc(-c7cccc8oc9c(-c%10ccc%11c(c%10)oc%10ccccc%10%11)cccc9c78)c7cccc-6c57)c5oc6cc(-c7ccc8oc9ccccc9c8c7)ccc6c45)ccc-2c13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.44
▸ PRKDC P78527 2/20 0.41
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ GGPS1 O95749 1/20 0.35
▸ CDC14B O60729 2/20 0.33
▸ CDC14A Q9UNH5 2/20 0.33
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G4A P47712 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ AHR P35869 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33

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
SCHEMBL18820384 0.90 ALOX5 (0.53) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL18820368 0.89 ALOX5 (0.56) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL18820374 0.89 MEN1 (0.41) ALOX5PRKDCMMP12MMP13PLA2G2A
SCHEMBL18820568 0.86 ALOX5 (0.49) ALOX5PRKDCGGPS1PLA2G2APLA2G4A
SCHEMBL18820370 0.85 ALOX5 (0.41) ALOX5PRKDCMMP12MMP13PLA2G2A
SCHEMBL18820371 0.85 ALOX5 (0.57) ALOX5PRKDCGGPS1CDC14BCDC14A
SCHEMBL20762353 0.85 ALOX5 (0.44) ALOX5PRKDCGGPS1PLA2G2APLA2G4A
SCHEMBL18820780 0.84 ALOX5 (0.58) ALOX5PRKDCGGPS1CDC14BCDC14A
SCHEMBL18252561 0.83 ALOX5 (0.61) ALOX5PRKDCGGPS1PLA2G2APLA2G4A
SCHEMBL18252607 0.83 ALOX5 (0.61) ALOX5PRKDCGGPS1PLA2G2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11355714-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-07 — — US disclosed
US-20190058133-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-02-21 — — 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 (2 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-11355714-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, SLCO2B1 ALOX5 1495/4885PRKDC 4071/4885MMP12 1668/4885
US-20190058133-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO2B1 ALOX5 1495/4885PRKDC 4071/4885MMP12 1668/4885

“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.

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