SCHEMBL6742473

SCHEMBL6742473

CCCC(=O)Oc1ccc(CCC(C)(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
LTA4H P09960 3/20 0.46
TOP2A P11388 1/20 0.46
AKR1C3 P42330 1/20 0.46
LDHA P00338 1/20 0.43
STAT3 P40763 1/20 0.43

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
SCHEMBL6742852 0.93 ALOX15 (0.63) ALOX15LTA4HTOP2AAKR1C3
SCHEMBL6743505 0.88 ALOX15 (0.59) ALOX15LTA4HTOP2AAKR1C3LDHA
SCHEMBL2817244 0.88 ALOX15 (0.62) ALOX15LTA4HLDHASTAT3
SCHEMBL3616477 0.84 ALOX15 (0.58) ALOX15LTA4HAKR1C3LDHA
SCHEMBL31321672 0.83 ALOX15 (0.64) ALOX15LTA4HTOP2ALDHA
SCHEMBL13349764 0.83 ALOX15 (0.64) ALOX15LTA4HTOP2ALDHA
SCHEMBL8386812 0.82 ALOX15 (0.62) ALOX15LTA4HTOP2AAKR1C3LDHA
SCHEMBL6743545 0.81 ALOX15 (0.47) ALOX15AKR1C3LDHA
SCHEMBL20095268 0.81 ALOX15 (0.61) ALOX15LTA4HTOP2AAKR1C3LDHA
SCHEMBL6743519 0.80 ALOX15 (0.68) ALOX15TOP2AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (3 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ALOX15 622/4885LTA4H 673/4885TOP2A 1909/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885LTA4H 1008/4885TOP2A 4225/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885LTA4H 668/4885TOP2A 2149/4885

“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.