SCHEMBL22172191

SCHEMBL22172191

Clc1ccc2c(c1)sc1cc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 3/20 0.43
MCL1 Q07820 2/20 0.42
BCKDK O14874 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
GPR3 P46089 1/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
AHR P35869 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 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
SCHEMBL23024715 0.89 KDM4E (0.56) CYP2A6KDM4EMCL1BCKDKRXFP1
SCHEMBL26021666 0.84 KDM4E (0.51) CYP2A6KDM4EMCL1RXFP1MAPT
SCHEMBL26021664 0.84 KDM4E (0.51) CYP2A6KDM4EMCL1RXFP1MAPT
SCHEMBL22375225 0.83 BCKDK (0.50) CYP2A6KDM4EMCL1BCKDKRXFP1
SCHEMBL11990859 0.83 GPR3 (0.46) CYP2A6MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL31228783 0.83 BCKDK (0.53) CYP2A6KDM4EMCL1BCKDKRXFP1
SCHEMBL30888167 0.83 GPR3 (0.46) CYP2A6MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL4922527 0.83 BCKDK (0.53) CYP2A6KDM4EMCL1BCKDKRXFP1
SCHEMBL31012019 0.82 KDM4E (0.61) KDM4EMCL1BCKDKRXFP1MAPT
SCHEMBL15318107 0.82 KDM4E (0.61) KDM4EMCL1BCKDKRXFP1MAPT

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
WO-2025075313-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2025-04-10 WO 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-2022045743-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-03-03 WO disclosed
WO-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed
WO-2020138726-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-07-02 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 CYP2A6 720/4885KDM4E 3533/4885MCL1 1794/4885

“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.