SCHEMBL14280505

SCHEMBL14280505

Cc1cc(C(C)C)cc2oc(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.39
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
SYK P43405 1/20 0.38
KMO O15229 1/20 0.33
MCL1 Q07820 1/20 0.33
GRM5 P41594 2/20 0.33
LMNA P02545 2/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL4497893 0.81 SYK (0.35) NOS1NOS3NOS2SYKGRM5
SCHEMBL1285298 0.79 NOS1 (0.41) NOS1NOS3NOS2SYKKMO
SCHEMBL11132639 0.78 NOS1 (0.52) NOS1NOS3NOS2SYKKMO
SCHEMBL520456 0.75 NOS1 (0.41) NOS1NOS3NOS2SYKKMO
SCHEMBL1285358 0.75 KDR (0.45) NOS1NOS3NOS2SYKKMO
SCHEMBL1285628 0.75 NOS1 (0.41) NOS1NOS3NOS2SYKKMO
SCHEMBL15759798 0.75 NOS1 (0.44) NOS1NOS3NOS2SYKKMO
SCHEMBL27643495 0.73 SYK (0.31) NOS1NOS3NOS2SYK
SCHEMBL3966457 0.72 NOS1 (0.39) NOS1NOS3NOS2SYKKMO
SCHEMBL1700932 0.71 NOS1 (0.38) NOS1NOS3NOS2SYKKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 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 (2 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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH NOS1 734/4885NOS3 268/4885NOS2 485/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL NOS1 161/4885NOS3 181/4885NOS2 174/4885

“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.