SCHEMBL22011588

SCHEMBL22011588

Brc1ccc2[nH]c3ccc4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c4c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
DCLK1 O15075 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
CSF1R P07333 1/20 0.38
FER P16591 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1D P48730 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
SCHEMBL22013017 0.90 ALDH1A1 (0.42) GAAALDH1A1HPGDNPSR1KDM4E
SCHEMBL22011990 0.89 ALDH1A1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22011589 0.86 ALDH1A1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22011709 0.83 ALDH1A1 (0.35) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL22012028 0.81 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL24171869 0.81 GUSB (0.37) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL22011711 0.81 ALDH1A1 (0.32) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL31524172 0.81 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16919361 0.81 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22011597 0.81 ALDH1A1 (0.38) MGAMGAASIMGAM2ALDH1A1

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 MGAM 4413/4885GAA 3835/4885SI 4862/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 MGAM 4413/4885GAA 3835/4885SI 4862/4885

“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.