SCHEMBL15434762

SCHEMBL15434762

c1ccc(N2c3ccccc3N3c4ccccc4Oc4cccc2c43)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.40
NPSR1 Q6W5P4 2/20 0.34
CES2 O00748 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 1/20 0.34
CES1 P23141 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17171646 0.94 P2RX4 (0.39) P2RX4NPSR1P2RX1P2RX3MAPT
SCHEMBL11311521 0.90 P2RX4 (0.46) P2RX4NPSR1CES2ALDH1A1BCHE
SCHEMBL17171665 0.89 P2RX4 (0.36) P2RX4NPSR1MAPTSMN1; SMN2ALOX5
SCHEMBL22964978 0.88 P2RX4 (0.44) P2RX4NPSR1CES2ALDH1A1BCHE
SCHEMBL1573992 0.88 P2RX4 (0.47) P2RX4NPSR1CES2ALDH1A1BCHE
SCHEMBL29379993 0.88 P2RX4 (0.47) P2RX4NPSR1CES2ALDH1A1BCHE
SCHEMBL29406608 0.88 P2RX4 (0.47) P2RX4NPSR1CES2ALDH1A1BCHE
SCHEMBL17171650 0.85 P2RX4 (0.35) P2RX4NPSR1CES2ALDH1A1BCHE
SCHEMBL15434923 0.84 ALDH1A1 (0.35) P2RX4NPSR1ALDH1A1P2RX1P2RX3
SCHEMBL14244249 0.82 P2RX4 (0.47) P2RX4NPSR1P2RX1P2RX3MAPT

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-10622567-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-04-14 US disclosed
EP-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
EP-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014008967-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-01-16 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-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EPCAM, OR10J3 P2RX4 1560/4885NPSR1 2352/4885CES2 192/4885
US-10622567-B2 Materials for organic electroluminescent devices L1CAM, EPCAM, OR10J3 P2RX4 1560/4885NPSR1 2352/4885CES2 192/4885

“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.