SCHEMBL20650754

SCHEMBL20650754

CN(c1ccc(C2CCCCC2)cc1)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
STAT3 P40763 1/20 0.32
PTPRS Q13332 1/20 0.32
SLC18A3 Q16572 1/20 0.32
PSMB5 P28074 2/20 0.31

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
SCHEMBL21021495 0.90 HTR1A (0.36) KMT2AHTR1AHTR7
SCHEMBL21020320 0.89 HTR1A (0.32) HTR1AHTR7PSMB5
SCHEMBL21021494 0.88 LMNA (0.33) LMNAKMT2ASMN1; SMN2PTPN2PTPN1
SCHEMBL21020318 0.87 PSMB5 (0.32) HTR1AHTR7PSMB5
SCHEMBL21020461 0.87 ADRA2A (0.31) HTR1AHTR7
SCHEMBL21020460 0.87 RAB9A (0.32) LMNAHTR1AHTR7
SCHEMBL21020327 0.87 LMNA (0.33) LMNAKMT2ASMN1; SMN2PTPN2PTPN1
SCHEMBL21019999 0.86 HTR1A (0.32) HTR1AHTR7
SCHEMBL21020319 0.86 MCOLN3 (0.34) HTR1AHTR7
SCHEMBL20650800 0.85 KMT2A (0.33) LMNAKMT2ASMN1; SMN2PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 LMNA 3923/4885KMT2A 280/4885SMN1; SMN2 1116/4885

“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.