SCHEMBL22844702

SCHEMBL22844702

CC(C)C(=O)OCCNC(=O)CC#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.55
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACACB O00763 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
IARS1 P41252 2/20 0.30
HPGD P15428 1/20 0.30
GAA P10253 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
SCHEMBL21391467 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1IARS1
SCHEMBL2879514 0.78 MCL1 (0.62) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL6578464 0.77 MCL1 (0.51) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL22847851 0.76 MCL1 (0.50) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL12385783 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPC1GAA
SCHEMBL6217575 0.74 MCL1 (0.74) MCL1HSD17B10LMNAMAPTHTT
SCHEMBL6322096 0.74 MCL1 (0.62) MCL1LMNAHTTALDH1A1CYP2C19
SCHEMBL85848 0.74 CYP2D6 (0.43) MEN1KMT2ACYP2C19NPC1HPGD
SCHEMBL14493157 0.74 KMT2A (0.48) HSD17B10HTTMEN1KMT2AALDH1A1
SCHEMBL12523122 0.74 MAPK1 (0.44) HSD17B10MEN1KMT2AALDH1A1KDM4E

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-20200407324-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT JOHNSON & JOHNSON VISION CARE, INC. 2020-12-31 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-20200407324-A1 POLYMERIZABLE FUSED TRICYCLIC COMPOUNDS AS ABSORBERS OF UV AND VISIBLE LIGHT ERCC4, ERCC1, F12 MCL1 4732/4885HSD17B10 2732/4885LMNA 236/4885

“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.