SCHEMBL21037633

SCHEMBL21037633

Clc1ccccc1-c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.58
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ALOX5 P09917 1/20 0.45
CYP2A6 P11509 1/20 0.44
TNKS2 Q9H2K2 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PRKDC P78527 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31243375 0.90 AHR (0.58) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL27334392 0.87 AHR (0.51) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL18731989 0.86 AHR (0.50) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL22058267 0.85 AHR (0.67) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL27018458 0.85 AHR (0.49) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL24969763 0.83 AHR (0.46) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL23820545 0.82 AHR (0.46) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL34462115 0.82 AHR (0.46) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL22252283 0.82 AHR (0.52) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL16904383 0.82 AHR (0.52) AHRMEN1MAPTKMT2AKDM4E

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 7 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
WO-2021070963-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-04-15 WO 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 AHR 282/4885MEN1 992/4885MAPT 2727/4885
US-20200303654-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, DDT, COMT AHR 282/4885MEN1 992/4885MAPT 2727/4885

“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.