SCHEMBL22011711

SCHEMBL22011711

C[S+]([O-])c1ccccc1-c1ccc2[nH]c3ccc4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c4c3c2c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
NPY5R Q15761 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
SCHEMBL24171869 0.84 GUSB (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011707 0.84 ALDH1A1 (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011710 0.83 HPGD (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22013017 0.82 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011588 0.81 MGAM (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011990 0.81 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011718 0.80 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011709 0.76 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011981 0.75 MGAM (0.32) CDK4CCND1
SCHEMBL22012028 0.74 MGAM (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 ALDH1A1 1119/4885HPGD 3659/4885KDM4E 1792/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 ALDH1A1 1119/4885HPGD 3659/4885KDM4E 1792/4885

“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.