SCHEMBL6743505

SCHEMBL6743505

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.59
LDHA P00338 1/20 0.47
TOP2A P11388 1/20 0.45
PTGS1 P23219 1/20 0.45
KMT2A Q03164 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 2/20 0.43
AKR1C3 P42330 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
SCHEMBL6743519 0.93 ALOX15 (0.68) ALOX15TOP2AKMT2AALDH1A1AKR1C3
SCHEMBL6742473 0.88 ALOX15 (0.56) ALOX15LDHATOP2ALTA4HAKR1C3
SCHEMBL31321672 0.87 ALOX15 (0.64) ALOX15LDHATOP2APTGS1KMT2A
SCHEMBL13349764 0.87 ALOX15 (0.64) ALOX15LDHATOP2APTGS1KMT2A
SCHEMBL2817244 0.85 ALOX15 (0.62) ALOX15LDHAKMT2AALDH1A1LTA4H
SCHEMBL8386812 0.85 ALOX15 (0.62) ALOX15LDHATOP2APTGS1KMT2A
SCHEMBL20095268 0.84 ALOX15 (0.61) ALOX15LDHATOP2APTGS1KMT2A
SCHEMBL6742916 0.83 ALOX15 (0.52) ALOX15KMT2AALDH1A1
SCHEMBL3612351 0.83 ALOX15 (0.59) ALOX15LDHATOP2APTGS1KMT2A
SCHEMBL21976826 0.83 ALOX15 (0.53) ALOX15TOP2ALTA4HAKR1C3

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 622/4885LDHA 3416/4885TOP2A 1909/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885LDHA 1936/4885TOP2A 4225/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885LDHA 3549/4885TOP2A 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.