SCHEMBL22146802

SCHEMBL22146802

Clc1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3sc3ccccc34)cc1)c1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PDK2 Q15119 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKDC P78527 3/20 0.34
PARP14 Q460N5 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
MAOB P27338 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
F9 P00740 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL22146663 0.97 ALOX5 (0.44) ALOX5PDK2MAPTKDM4EMEN1
SCHEMBL328681 0.89 ALOX5 (0.51) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL437557 0.89 ALOX5 (0.51) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL18086197 0.88 ALOX5 (0.54) ALOX5PDK2MAPTKDM4EMEN1
SCHEMBL437565 0.88 ALOX5 (0.50) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL371197 0.87 ALOX5 (0.54) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL440707 0.86 ALOX5 (0.50) ALOX5PDK2MAPTKDM4EMEN1
SCHEMBL16182152 0.86 ALOX5 (0.52) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL438766 0.86 ALOX5 (0.52) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL17692383 0.85 ALOX5 (0.51) ALOX5PDK2MAPTKDM4EMEN1

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-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-05-19 US disclosed
WO-2020127259-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-25 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 (1 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-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES EED, EPHA6, ERCC1 ALOX5 3331/4885PDK2 519/4885MAPT 2367/4885

“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.