SCHEMBL16713397

SCHEMBL16713397

COC(C(N)=O)(c1ccccc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CES1 P23141 1/20 0.43
KCNN4 O15554 6/20 0.43
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KIF11 P52732 2/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.38
ALOX5 P09917 1/20 0.36

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
SCHEMBL10717798 0.85 CYP1A2 (0.52) CYP2D6CYP1A2KMT2AMAPTCES1
SCHEMBL618735 0.85 KMT2A (0.44) CYP2D6CYP1A2KMT2AMAPTCES1
SCHEMBL10779524 0.81 CES1 (0.59) CYP2D6CYP1A2KMT2AMAPTCES1
SCHEMBL4795436 0.77 KIF11 (0.46) CYP2D6CYP1A2KMT2AMAPTLMNA
SCHEMBL27510805 0.77 SCN5A (0.41) CYP2D6CYP1A2KMT2AMAPTLMNA
SCHEMBL14037792 0.74 CES1 (0.59) CYP2D6CYP1A2KMT2AMAPTCES1
SCHEMBL28240314 0.73 MAPT (0.55) CYP2D6CYP1A2KMT2AMAPTKCNN4
SCHEMBL20681289 0.73 MAPT (0.61) CYP2D6CYP1A2KMT2AMAPTKCNN4
SCHEMBL3905516 0.73 MAPT (0.55) CYP2D6CYP1A2KMT2AMAPTCES1
SCHEMBL1454439 0.73 CES1 (0.63) CYP2D6CYP1A2KMT2AMAPTCES1

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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 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 (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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 CYP2D6 3003/4885CYP1A2 690/4885KMT2A 493/4885

“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.