SCHEMBL22650689

SCHEMBL22650689

Clc1ccc2c(ccc3c4ccccc4sc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP1A1 P04798 4/20 0.46
▸ CYP1B1 Q16678 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2A6 P11509 1/20 0.44
▸ GPR3 P46089 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AHR P35869 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ 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
SCHEMBL13562189 0.95 KDM4E (0.46) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL24888400 0.90 KDM4E (0.51) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL22172198 0.86 CYP1B1 (0.52) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL23024877 0.85 CYP1A1 (0.51) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL12269172 0.83 GPR3 (0.52) KDM4ECYP1A1CYP1B1GPR3MAPT
SCHEMBL24275423 0.82 KDM4E (0.44) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL15857004 0.82 KDM4E (0.47) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL29903935 0.81 GPR3 (0.54) CYP1A1CYP1B1CYP1A2CYP2A6GPR3
SCHEMBL1294668 0.81 GPR3 (0.54) CYP1A1CYP1B1CYP1A2CYP2A6GPR3
SCHEMBL18553276 0.79 CYP2A6 (0.44) KDM4ECYP1A1CYP1B1CYP2A6GPR3

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-11839152-B2 Compound for organic photoelectronic element, organic photoelectronic element, and display device SAMSUNG SDI CO., LTD. (KR) 2023-12-05 — — US disclosed
US-11839152-B2 Compound for organic photoelectronic element, organic photoelectronic element, and display device SAMSUNG SDI CO., LTD. (KR) 2023-12-05 — — US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 — — US disclosed
US-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-08-03 — — US disclosed
WO-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 — — WO disclosed
US-20200373497-A1 COMPOOUND FOR ORGANIC PHOTOELECTRONIC ELEMENT, ORGANIC PHOTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-11-26 — — US disclosed
WO-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 — — 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 (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-20230242498-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, NR1D1 KDM4E 3533/4885CYP1A1 8/4885CYP1B1 43/4885

“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.

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