SCHEMBL12424435

SCHEMBL12424435

CCC1CCC(NC(=O)OC)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.37
JAK1 P23458 3/20 0.36
TSHR P16473 1/20 0.36
G6PD P11413 2/20 0.35
BTK Q06187 1/20 0.35
DRD2 P14416 6/20 0.34
HTR2A P28223 3/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL14853201 1.00 KMT2A (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL15373215 1.00 KMT2A (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL16133589 0.89 KMT2A (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5949738 0.89 KMT2A (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL27325972 0.86 TSHR (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL12424470 0.83 BTK (0.55) KMT2ABTKDRD2DRD3
SCHEMBL19156113 0.83 BTK (0.55) KMT2ABTKDRD2DRD3
SCHEMBL8168454 0.82 TSHR (0.41) KMT2AMEN1EPHX2JAK1TSHR
SCHEMBL25117890 0.81 ATM (0.46) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL22943926 0.81 ATM (0.46) KMT2AMAPTMEN1NPC1RAB9A

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KMT2A 1997/4885MAPT 4361/4885MEN1 298/4885

“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.