SCHEMBL12747751

SCHEMBL12747751

CC(C)(CCCCc1cccc(Br)n1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PPARA Q07869 4/20 0.40
KCNH2 Q12809 1/20 0.39
TBXAS1 P24557 2/20 0.38
ACLY P53396 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
SCHEMBL12747760 0.99 LTB4R (0.43) LTB4RCYP4F2CYP4A11CYP1A2CYP2C9
SCHEMBL12747693 0.84 KCNH2 (0.42) LTB4RCYP4F2CYP4A11PPARAKCNH2
SCHEMBL12747699 0.84 KCNH2 (0.42) LTB4RCYP4F2CYP4A11PPARAKCNH2
SCHEMBL12747752 0.84 KCNH2 (0.36) LTB4RCYP4F2CYP4A11CYP1A2KCNH2
SCHEMBL12747761 0.83 KCNH2 (0.38) LTB4RCYP4F2CYP4A11KCNH2
SCHEMBL12747870 0.83 KCNH2 (0.38) LTB4RKCNH2
SCHEMBL12747813 0.81 CYP4F2 (0.38) LTB4RCYP4F2CYP4A11CYP1A2CYP2C9
SCHEMBL12747900 0.81 DAGLA (0.38) LTB4RPPARAKCNH2
SCHEMBL12747713 0.78 LTB4R (0.56) LTB4RPPARA
SCHEMBL12747734 0.77 LTB4R (0.57) LTB4RPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480554-B1 MACROCYCLIC INHIBITORS OF JAK HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8318764-B2 Macrocyclic inhibitors of JAK ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318764-B2 Macrocyclic inhibitors of JAK ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
WO-2011033053-A1 MACROCYCLIC INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071179-A1 MACROCYCLIC INHIBITORS OF JAK JAHANGIR ALAM 2011-03-24 US disclosed
US-20110071179-A1 MACROCYCLIC INHIBITORS OF JAK JAHANGIR ALAM 2011-03-24 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-20110071179-A1 MACROCYCLIC INHIBITORS OF JAK JAK2, JAK1, JAK3 LTB4R 927/4885CYP4F2 1777/4885CYP4A11 1293/4885

“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.