SCHEMBL19736033

SCHEMBL19736033

CCCCCCC(C)(CC)N(C(C)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
SMPD1 P17405 1/20 0.37

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
SCHEMBL25950632 0.94 CES2 (0.42) CES2GGPS1FDPSMEN1MAPT
SCHEMBL20203168 0.90 CES2 (0.40) CES2GGPS1FDPSMEN1MAPT
SCHEMBL23894886 0.88 CES2 (0.37) CES2GGPS1FDPSMEN1MAPT
SCHEMBL14479855 0.85 ALDH1A1 (0.32)
SCHEMBL24916372 0.82 MEN1 (0.37) CES2MEN1MAPTKMT2AATM
SCHEMBL8521468 0.82 CES2 (0.42) CES2GGPS1FDPSMEN1MAPT
SCHEMBL19939441 0.82 CES2 (0.42) CES2GGPS1FDPSMEN1MAPT
SCHEMBL23346658 0.80 MEN1 (0.36) CES2GGPS1FDPSMEN1MAPT
SCHEMBL12325107 0.80 TDP1 (0.33)
SCHEMBL22924889 0.80 CES2 (0.41) CES2GGPS1FDPSMEN1MAPT

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-20210355128-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-11-18 US disclosed
US-10193076-B2 Amine compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-01-29 US disclosed
US-20170365788-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 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 (3 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-20210355128-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME NR2E3, CRY2, CRY1 CES2 1731/4885GGPS1 2536/4885FDPS 4155/4885
US-10193076-B2 Amine compound and organic light emitting element comprising same CRY1, AOC2, CRY2 CES2 837/4885GGPS1 1103/4885FDPS 2097/4885
US-20170365788-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, AOC2, CRY2 CES2 837/4885GGPS1 1103/4885FDPS 2097/4885

“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.