SCHEMBL13625433

SCHEMBL13625433

CC(C)Cc1ccc(-c2ncco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR1 P21453 2/20 0.41
HPGDS O60760 1/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 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
SCHEMBL14983820 0.81 HPGDS (0.43) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL8239613 0.80 LTA4H (0.50) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL722557 0.79 LTA4H (0.64) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL17254244 0.77 KCNJ1 (0.49) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL28257875 0.77 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL28362996 0.77 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL28320605 0.77 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL3373791 0.77 LTA4H (0.50) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL9263374 0.77 NOTUM (0.53) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1
SCHEMBL15018654 0.77 LTA4H (0.50) LTA4HCHRNA7CHRNA10CHRNA9KCNJ1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 LTA4H 415/4885CHRNA7 4617/4885CHRNA10 4431/4885

“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.