SCHEMBL21391631

SCHEMBL21391631

Oc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(O)ccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.59
ESR2 Q92731 5/20 0.46
ESR1 P03372 4/20 0.46
ALOX5 P09917 1/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
GPR55 Q9Y2T6 2/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL30003384 1.00 PDK2 (0.59) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL30511893 1.00 PDK2 (0.59) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL789268 1.00 PDK2 (0.59) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL31668465 1.00 PDK2 (0.59) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL20941772 1.00 PDK2 (0.59) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL30697106 0.92 PDK2 (0.53) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL26677777 0.92 PDK2 (0.53) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL3415232 0.91 ALOX5 (0.55) PDK2ESR2ESR1ALOX5TDP1
SCHEMBL4205297 0.89 PDK2 (0.53) PDK2ESR2ESR1ALOX5CDK5
SCHEMBL29638158 0.88 PDK2 (0.53) PDK2ESR2ESR1ALOX5CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010796-A1 DIELECTRIC MATERIALS BASED ON BISMALEIMIDES CONTAINING CARDO/SPIRO MOIETIES MERCK PATENT GMBH (DE) 2024-01-11 US disclosed
EP-4255963-A1 DIELECTRIC MATERIALS BASED ON BISMALEIMIDES CONTAINING CARDO/SPIRO MOIETIES Merck Patent GmbH (DE) 2023-10-11 EP disclosed
WO-2022117715-A1 DIELECTRIC MATERIALS BASED ON BISMALEIMIDES CONTAINING CARDO/SPIRO MOIETIES MERCK PATENT GMBH (DE) 2022-06-09 WO disclosed
WO-2022117715-A1 DIELECTRIC MATERIALS BASED ON BISMALEIMIDES CONTAINING CARDO/SPIRO MOIETIES MERCK PATENT GMBH (DE) 2022-06-09 WO disclosed
US-20220119590-A1 POLYMERS WITH AMINE-GROUP-CONTAINING REPEATING UNITS MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
US-20210277176-A1 FORMULATION CONTAINING A HIGHLY BRANCHED POLYMER, HIGHLY BRANCHED POLYMER AND ELECTRO-OPTICAL DEVICE CONTAINING THIS HIGHLY BRANCHED POLYMER MERCK PATENT GMBH (DE) 2021-09-09 US disclosed
CN-107429033-B Resin composition and optical lens 大阪燃气化学有限公司 2020-11-24 CN disclosed
US-20190296242-A1 POLYMERS WITH ASYMMETRIC REPEATING UNITS MERCK PATENT GMBH (DE) 2019-09-26 US disclosed