SCHEMBL23314307

SCHEMBL23314307

Clc1cccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
KDM4E B2RXH2 2/20 0.41
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MCL1 Q07820 2/20 0.37
MAPK1 P28482 2/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HCRTR1 O43613 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL31615244 0.90 MAPK1 (0.41) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL25567798 0.90 MAPK1 (0.41) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL22650685 0.90 MAPK1 (0.41) GPR3KDM4EMCL1MAPK1CYP1A2
SCHEMBL24969200 0.84 AHR (0.45) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL20041175 0.84 ALOX5 (0.47) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL23058240 0.83 AHR (0.40) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL30800961 0.82 GPR3 (0.54) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL7226057 0.82 GPR3 (0.54) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL30490060 0.82 GPR3 (0.54) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL19656440 0.82 GPR3 (0.35) GPR3KDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210242408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-08-05 US disclosed
US-10998502-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-05-04 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-10998502-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof OR51E2, ETV6, OR10J3 GPR3 4844/4885KDM4E 575/4885MAPT 1481/4885
US-20210242408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ORAI2 GPR3 4823/4885KDM4E 751/4885MAPT 2231/4885

“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.