SCHEMBL16294204

SCHEMBL16294204

COC(=O)CCc1ccc(Br)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
OR51E2 Q9H255 1/20 0.54
PTPN1 P18031 2/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3686214 0.88 HDAC1 (0.51) ALOX5OR51E2KMT2AMEN1MAPT
SCHEMBL17295176 0.87 CYP4F2 (0.55) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL21222812 0.86 FFAR1 (0.55) ALOX5OR51E2
SCHEMBL30488611 0.86 FFAR1 (0.55) ALOX5OR51E2
SCHEMBL3940302 0.85 KMT2A (0.59) ALOX5OR51E2KMT2AMEN1MAPT
SCHEMBL3128940 0.84 ALOX5 (0.50) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL31236975 0.84 ABL1 (0.56) KMT2AMAPTLMNASMN1; SMN2CYP1A2
SCHEMBL4190020 0.83 APP (0.50) ALOX5OR51E2PTPN1IDO1
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.83 ALOX5 (0.77) ALOX5OR51E2PTPN1LMNACYP1A2
SCHEMBL18744079 0.83 ALOX5 (0.55) ALOX5OR51E2KMT2AMEN1MAPT

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 ALOX5 1151/4885OR51E2 4280/4885PTPN1 3466/4885

“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.