SCHEMBL21020001

SCHEMBL21020001

Cc1ccc(N(C)c2cccc3c2sc2c(C4CCCCC4)cccc23)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
TP53 P04637 1/20 0.31
CSF1R P07333 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL20172926 0.88 LMNA (0.35) MEN1KMT2AHTR1AHTR7
SCHEMBL20649848 0.88 PSMB5 (0.33) PSMB5PTGDR2PDK2PDK4
SCHEMBL20172930 0.84 HTR1A (0.35) MEN1KMT2APTGDR2HTR1AHTR7
SCHEMBL20172883 0.81 HTR2C (0.33) HTR1AHTR7
SCHEMBL21021500 0.80 CYP1A2 (0.38)
SCHEMBL20172933 0.80 MEN1 (0.34) MEN1KMT2AHTR1AHTR7
SCHEMBL21021495 0.80 HTR1A (0.36) MEN1KMT2APTGDR2HTR1AHTR7
SCHEMBL21020443 0.80 PSMB5 (0.33) PSMB5KMT2APTGDR2PDK2PDK4
SCHEMBL21982468 0.78 PTGS2 (0.33) KMT2AHTR1AHTR7
SCHEMBL20172924 0.78 ADRA2A (0.34) HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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 (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 PSMB5 4011/4885MEN1 565/4885KMT2A 280/4885

“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.