SCHEMBL21037809

SCHEMBL21037809

COC(=O)c1cc(-c2cccc3c2oc2ccccc23)ccc1-c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.50
HDAC8 Q9BY41 2/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GGPS1 O95749 1/20 0.41
TNKS O95271 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
SLC6A2 P23975 1/20 0.40
NR4A2 P43354 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
PRKDC P78527 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4552220 0.85 ALOX5 (0.50) ALOX5HDAC8SLC6A4SLC6A3MAPT
SCHEMBL21102259 0.81 ALOX5 (0.48) ALOX5HDAC8SLC6A4SLC6A3GGPS1
SCHEMBL19200773 0.81 HDAC8 (0.50) ALOX5HDAC8MAPTTHRBL3MBTL1
SCHEMBL18165288 0.81 HDAC8 (0.50) ALOX5HDAC8SLC6A3MAPTNR4A2
SCHEMBL21102641 0.80 SLC6A3 (0.48) ALOX5HDAC8SLC6A3GGPS1TNKS
SCHEMBL4554338 0.80 ALOX5 (0.50) ALOX5HDAC8SLC6A4SLC6A3MAPT
SCHEMBL21102389 0.80 HDAC8 (0.49) ALOX5HDAC8SLC6A3MAPTATM
SCHEMBL18357017 0.79 HDAC8 (0.47) ALOX5HDAC8MAPTTHRBNR4A2
SCHEMBL16745227 0.77 SLC6A4 (0.48) ALOX5HDAC8SLC6A4SLC6A3MAPT
SCHEMBL21037808 0.77 SLC6A3 (0.52) SLC6A4SLC6A3MAPTSLC6A2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
US-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
EP-4242286-A2 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2023-09-13 EP disclosed
EP-3714022-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-07 EP disclosed
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 US disclosed
WO-2019101719-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-31 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-11832513-B2 Materials for electronic devices PNMT, DDT, COMT ALOX5 2153/4885HDAC8 4729/4885SLC6A4 355/4885
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, DDT, COMT ALOX5 2153/4885HDAC8 4729/4885SLC6A4 355/4885

“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.