SCHEMBL16744728

SCHEMBL16744728

CCCc1cc(N)cc(F)c1O[C@@H](C)COC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MCHR1 Q99705 1/20 0.32
GCK P35557 1/20 0.31
DHFR P00374 2/20 0.30
DCPS Q96C86 2/20 0.30
HMGCR P04035 1/20 0.30

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
Hydrochloric Acid SCHEMBL16737961 0.81 GAA (0.39) MCHR1
Hydrochloric Acid SCHEMBL16737962 0.81 GAA (0.39) MCHR1
SCHEMBL17705194 0.81 ALOX5AP (0.32) ALOX5APFEN1HMGCR
SCHEMBL17705201 0.78 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL16744711 0.77 DHFR (0.32) ALOX5APFEN1DHFRHMGCR
SCHEMBL16737984 0.76 MEP1B (0.31) GCK
SCHEMBL20149566 0.72 MCHR1 (0.37) MCHR1
SCHEMBL8279811 0.71 MCHR1 (0.32) MCHR1DHFRDCPS
SCHEMBL30880496 0.66 CYP19A1 (0.40) MCHR1GCKDHFRDCPS
SCHEMBL8282056 0.66 ICMT (0.35) GCK

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-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 ALOX5AP 1805/4885FEN1 3532/4885MCHR1 4236/4885

“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.