SCHEMBL20277477

SCHEMBL20277477

CC1(C)c2ccccc2-c2ccc(-c3cccc4oc5ccccc5c34)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PDK2 Q15119 9/20 0.35
PGR P06401 1/20 0.33
BACE1 P56817 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HCRTR1 O43613 1/20 0.33
MAOA P21397 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20276868 0.97 ALOX5 (0.40) ALOX5PDK2PGRBACE1MAOA
SCHEMBL19011141 0.91 MAOB (0.38) ALOX5PDK2PGRMAOAKDM4E
SCHEMBL24285577 0.90 L3MBTL1 (0.33) ALOX5PDK2PGR
SCHEMBL18819957 0.89 ALOX5 (0.34) ALOX5PDK2CASP3SENP7SENP6
SCHEMBL25624497 0.89 PDK2 (0.33) ALOX5PDK2CASP3SENP7SENP6
SCHEMBL23109478 0.88 ALOX5 (0.33) ALOX5PDK2HCRTR1KDM4EALDH1A1
SCHEMBL17944077 0.87 ALK (0.33) ALOX5PDK2PGRKDM4EALDH1A1
SCHEMBL17206483 0.87 PLA2G2A (0.35) ALOX5PDK2PGRBACE1KDM4E
SCHEMBL21742876 0.87 PDK2 (0.36) ALOX5PDK2PGRBACE1MAOA
SCHEMBL22707003 0.87 ALOX5 (0.34) ALOX5PDK2PGRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device MERCK PATENT GMBH (DE) 2022-06-14 US disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 US disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 US 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-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE OCIAD2, ZYX, OCIAD1 ALOX5 1480/4885PDK2 755/4885PGR 1470/4885
US-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device ZYX, OCIAD2, DRD1 ALOX5 1572/4885PDK2 815/4885PGR 856/4885

“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.