SCHEMBL20172783

SCHEMBL20172783

CN(c1ccccc1C(C)(C)C)c1cccc2c1oc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX5 P09917 3/20 0.36
PGR P06401 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAOA P21397 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KIF11 P52732 1/20 0.33
AHR P35869 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 2/20 0.31
CA2 P00918 1/20 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
SCHEMBL20172831 0.88 KIF11 (0.35) KMT2AMEN1CYP2C19ALDH1A1KIF11
SCHEMBL20172799 0.87 MEN1 (0.42) KMT2AMEN1CYP2C19ALOX5PGR
SCHEMBL20650741 0.84 MEN1 (0.42) KMT2AMEN1CYP2C19ALOX5PGR
SCHEMBL20172798 0.84 GABRA1 (0.37) ALDH1A1KIF11CA2
SCHEMBL20172807 0.83 KIF11 (0.32) KIF11NPC1RAB9A
SCHEMBL20172842 0.83 ACP1 (0.33) KMT2AMEN1CYP2C19KIF11
SCHEMBL23967795 0.82 KIF11 (0.31) CYP2C19KIF11L3MBTL1HTTCA2
SCHEMBL20172857 0.82 KIF11 (0.31) KIF11
SCHEMBL12411501 0.81 MEN1 (0.55) KMT2AMEN1CYP2C19ALOX5PGR
SCHEMBL21021447 0.81 ALOX5 (0.33) CYP2C19ALOX5LMNAKIF11L3MBTL1

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 KMT2A 517/4885MEN1 801/4885CYP2C19 609/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 KMT2A 517/4885MEN1 801/4885CYP2C19 609/4885

“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.