SCHEMBL4394082

SCHEMBL4394082

CC(CNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL4386435 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IALDH1A1MEN1
SCHEMBL5668410 0.83 LTA4H (0.48) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL4395355 0.83 ALDH1A1 (0.43) ALDH1A1MEN1POLBKMT2AHCRTR1
SCHEMBL4383724 0.83 ALDH1A1 (0.43) ALDH1A1MEN1POLBKMT2AHCRTR1
SCHEMBL4392406 0.83 ALDH1A1 (0.43) ALDH1A1MEN1POLBKMT2AHCRTR1
SCHEMBL2172285 0.82 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IALDH1A1MEN1
SCHEMBL2171264 0.81 NPC1 (0.55) CACNA1GCACNA1HCACNA1IALDH1A1MEN1
SCHEMBL4388997 0.81 CACNA1G (0.46) CACNA1GCACNA1HCACNA1IPOLBKMT2A
SCHEMBL5668902 0.80 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IALDH1A1MEN1
SCHEMBL2171492 0.80 TRPV1 (0.56) CACNA1GCACNA1HCACNA1IMEN1KMT2A

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 CACNA1G 4004/4885CACNA1H 4347/4885CACNA1I 4036/4885

“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.