SCHEMBL22011589

SCHEMBL22011589

Brc1ccc2c(c1)c1c3c(ccc1n2-c1ccccc1)ccc1c3c2ccccc2n1-c1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PRNP P04156 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL17990564 0.91 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL22012094 0.89 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL22012030 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL18212434 0.88 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL24171409 0.87 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL22011588 0.86 MGAM (0.39) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL16542968 0.86 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL19639045 0.85 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL22011442 0.85 CFTR (0.33) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL24171403 0.85 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ENPSR1MAPT

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.