SCHEMBL21901591

SCHEMBL21901591

c1ccc(-c2ccc3c(c2)c2ccccc2n3CCc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DNM1 Q05193 2/20 0.45
NPY5R Q15761 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PTGER4 P35408 5/20 0.43
CASR P41180 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SMPD1 P17405 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RAC2 P15153 1/20 0.39
RAC3 P60763 1/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39

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
SCHEMBL21901587 0.97 TSPO (0.42) TSPOHDAC6DNM1NPY5RBCHE
SCHEMBL21901584 0.83 PGR (0.43) HDAC6PTGER4MEN1KMT2A
SCHEMBL21901592 0.82 HSD11B1 (0.51) ALDH1A1HPGDADORA3
SCHEMBL21901594 0.82 KMT2A (0.53) ALDH1A1HPGDSMPD1MEN1KMT2A
SCHEMBL22843337 0.81 TSPO (0.44) TSPODNM1NPY5RPTGER4ALDH1A1
SCHEMBL2801396 0.81 ALDH1A1 (0.48) TSPOHDAC6DNM1NPY5RALDH1A1
SCHEMBL2798021 0.81 KDM4E (0.51) TSPODNM1NPY5RPTGER4ALDH1A1
SCHEMBL17228041 0.79 TSPO (0.42) TSPODNM1NPY5RPTGER4ALDH1A1
SCHEMBL21239331 0.79 TSPO (0.42) TSPODNM1NPY5RPTGER4ALDH1A1
SCHEMBL21965202 0.79 TSPO (0.42) TSPODNM1NPY5RPTGER4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200127210-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND COMPOUND Konica Minolta, Inc. (JP) 2020-04-23 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 (1 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-20200127210-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND COMPOUND XDH, DAO, HAO2 TSPO 570/4885HDAC6 4602/4885DNM1 2394/4885

“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.