SCHEMBL20172793

SCHEMBL20172793

CN(c1ccccc1C1CCCCC1)c1cccc2c1oc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
CEL P19835 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX5 P09917 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
VKORC1 Q9BQB6 2/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MPI P34949 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20172854 0.90 CEL (0.36) CELKMT2AMEN1HTR1AHTR7
SCHEMBL20172805 0.86 CEL (0.34) CELKMT2AMEN1HTR1AHTR7
SCHEMBL20650380 0.86 CEL (0.35) CYP2C19CELKMT2AMEN1NPC1
SCHEMBL20172810 0.85 CEL (0.33) CELKMT2AMEN1NPC1RAB9A
SCHEMBL21020273 0.84 ADRA2A (0.34) CELKMT2AMEN1HTR1AHTR7
SCHEMBL20172863 0.84 CEL (0.33) CELKMT2AMEN1HTR1AHTR7
SCHEMBL21982426 0.83 PTGS2 (0.33) CELKMT2AMEN1HTR1AHTR7
SCHEMBL21020440 0.83 CEL (0.35) CELKMT2AMEN1HTR1AHTR7
SCHEMBL20172832 0.83 CEL (0.32) CELHTR1AHTR7LMNA
SCHEMBL21020434 0.83 ALOX5 (0.31) CYP2C19KMT2AMEN1ALOX5

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
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 CYP2C19 609/4885CEL 3965/4885KMT2A 517/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CYP2C19 609/4885CEL 3965/4885KMT2A 517/4885

“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.