SCHEMBL12747713

SCHEMBL12747713

CC(C)(CCCCOc1cccc(Br)n1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.56
HTR7 P34969 1/20 0.50
PPARA Q07869 1/20 0.47

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
SCHEMBL12747734 0.99 LTB4R (0.57) LTB4RHTR7PPARA
SCHEMBL12747714 0.86 HTR7 (0.47) LTB4RHTR7
SCHEMBL12747743 0.86 HTR7 (0.47) LTB4RHTR7PPARA
SCHEMBL12747735 0.85 HTR7 (0.46) LTB4RHTR7
SCHEMBL8987484 0.82 LTB4R (0.74) LTB4RPPARA
SCHEMBL12849552 0.81 HTR7 (0.47) LTB4RHTR7
SCHEMBL12747751 0.78 LTB4R (0.41) LTB4RPPARA
SCHEMBL12747744 0.78 HTR7 (0.44) LTB4RHTR7
SCHEMBL23364685 0.78 HTR7 (0.63) LTB4RHTR7
SCHEMBL29932740 0.78 HTR7 (0.63) LTB4RHTR7

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 927/4885HTR7 4455/4885PPARA 3689/4885

“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.