SCHEMBL8159871

SCHEMBL8159871

COc1cc(Br)cc(OC)c1CCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.45
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
TNKS2 Q9H2K2 1/20 0.38
GAA P10253 2/20 0.37
PIM1 P11309 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NQO2 P16083 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL23783141 0.83 ERN1 (0.44) ERN1ALOX15ALOX12GAAPIM1
SCHEMBL9198298 0.81 USP2 (0.44) ERN1ALDH1A1TAAR1
SCHEMBL31187890 0.81 ACHE (0.48) ERN1TNKS2PDE4APDE4BPDE4C
SCHEMBL20562309 0.79 TAAR1 (0.52) KDM4EHTR2AHTR2CTAAR1
SCHEMBL14485579 0.79 TAAR1 (0.39) ERN1ALOX15ALOX12GAAPIM1
Hydrochloric Acid SCHEMBL27229034 0.78 TAAR1 (0.50) KDM4EHTR2AHTR2CTAAR1
SCHEMBL1621332 0.77 GAA (0.54) ERN1ALOX15ALOX12TNKS2GAA
SCHEMBL25845781 0.76 PTGS2 (0.41) ERN1ALOX15ALOX12GAANQO2
SCHEMBL8419860 0.75 TNKS2 (0.38) TNKS2GAAPDE4APDE4BPDE4C
SCHEMBL29937640 0.75 PYCR1 (0.49) ERN1ALOX15GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO 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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 ERN1 1645/4885ALOX15 2168/4885ALOX12 1583/4885

“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.