SCHEMBL6742852

SCHEMBL6742852

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.63
ADRB2 P07550 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
AKR1C3 P42330 4/20 0.40
LTA4H P09960 2/20 0.38
TOP2A P11388 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
LMNA P02545 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
SCHEMBL6742473 0.93 ALOX15 (0.56) ALOX15AKR1C3LTA4HTOP2A
SCHEMBL6743519 0.87 ALOX15 (0.68) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL6794712 0.86 ALOX15 (0.72) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL6743545 0.84 ALOX15 (0.47) ALOX15AKR1C3TBK1LMNA
SCHEMBL3616641 0.82 ALOX15 (0.67) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL9404857 0.82 ALOX15 (0.67) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL6790422 0.82 ALOX15 (0.74) ALOX15ADRB2ADRA2ADRD2ADRA2C
Hydrochloric Acid SCHEMBL9404927 0.81 ALOX15 (0.65) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL21976826 0.80 ALOX15 (0.53) ALOX15AKR1C3LTA4HTOP2A
SCHEMBL6743505 0.80 ALOX15 (0.59) ALOX15AKR1C3LTA4HTOP2A

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-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
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 622/4885ADRB2 2305/4885ADRA2A 2965/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885ADRB2 818/4885ADRA2A 904/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885ADRB2 2204/4885ADRA2A 2857/4885

“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.