SCHEMBL18820541

SCHEMBL18820541

Brc1cccc2sc3ccc(-c4cccc5ccccc45)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
ALOX5 P09917 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F9 P00740 1/20 0.36
S1PR4 O95977 4/20 0.36
S1PR5 Q9H228 4/20 0.36
GPR3 P46089 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PRKDC P78527 1/20 0.34
PTPN1 P18031 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CTRC Q99895 1/20 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
SCHEMBL25858364 0.84 ALOX5 (0.43) CA12CA1CA2CA9ALOX5
SCHEMBL20762289 0.84 ALDH1A1 (0.34) CA12CA1CA2CA9ALOX5
SCHEMBL14410440 0.83 MCL1 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL20761661 0.83 SIRT2 (0.39) CA1CA2CA9ALOX5S1PR4
SCHEMBL17944654 0.82 MCL1 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL18820610 0.82 ALDH1A1 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL23765013 0.81 SLC9A1 (0.41) ALOX5F9
SCHEMBL15180605 0.81 MCL1 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL25907813 0.81 LIMK1 (0.40) F9GPR3PTPN1
SCHEMBL17382941 0.81 NQO2 (0.34) CA12CA1CA2CA9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
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
WO-2017071791-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-05-04 WO 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 CA12 2488/4885CA1 3924/4885CA2 3093/4885
US-20190058133-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO2B1 CA12 2488/4885CA1 3924/4885CA2 3093/4885

“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.