SCHEMBL21148616

SCHEMBL21148616

c1ccc2c(c1)sc1cccc(-c3nc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5sc6ccccc6c45)n3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
BRDT Q58F21 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
DUSP3 P51452 1/20 0.38
BLM P54132 1/20 0.38
PTPN5 P54829 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN11 Q06124 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.35
ADK P55263 1/20 0.35
TNKS O95271 1/20 0.34

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
SCHEMBL24266825 0.92 GPR3 (0.41) GPR3BRDTMAPTMEN1POLB
SCHEMBL17252438 0.92 GPR3 (0.41) GPR3BRDTMAPTMEN1POLB
SCHEMBL24297047 0.92 GPR3 (0.41) GPR3BRDTMAPTMEN1POLB
SCHEMBL21148752 0.90 ALOX5 (0.46) GPR3BRDTMAPTMEN1POLB
SCHEMBL21149239 0.90 GPR3 (0.39) GPR3BRDTMAPTMEN1POLB
SCHEMBL21149265 0.90 GPR3 (0.42) GPR3BRDTMAPTMEN1POLB
SCHEMBL21149191 0.89 ADORA2A (0.39) GPR3BRDTMAPTMEN1POLB
SCHEMBL21149230 0.89 ADORA2A (0.39) GPR3BRDTMAPTMEN1POLB
SCHEMBL21149241 0.89 ALDH1A1 (0.45) GPR3BRDTMAPTMEN1POLB
SCHEMBL21148187 0.89 ADORA2A (0.39) GPR3BRDTMAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 US disclosed
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 US disclosed
US-20220384744-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-12-01 US disclosed
US-20220173322-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-06-02 US disclosed
US-20220059777-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-24 US disclosed
US-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-07-11 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 (3 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-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 GPR3 1439/4885BRDT 4561/4885MAPT 1761/4885
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 GPR3 1439/4885BRDT 4561/4885MAPT 1761/4885
US-20220384744-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TELO2, PIEZO1, LIMS1 GPR3 4799/4885BRDT 4476/4885MAPT 2509/4885

“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.