SCHEMBL3616641

SCHEMBL3616641

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.67
FFAR4 Q5NUL3 4/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
AKR1C3 P42330 3/20 0.44
CCR5 P51681 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
SCHEMBL3616477 0.93 ALOX15 (0.58) ALOX15FFAR4FFAR1AKR1C3
SCHEMBL4738369 0.89 ALOX15 (0.63) ALOX15FFAR4LMNAL3MBTL1FFAR1
SCHEMBL6794712 0.89 ALOX15 (0.72) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL3617307 0.86 ALOX15 (0.68) ALOX15LMNAAKR1C3
SCHEMBL9404857 0.85 ALOX15 (0.67) ALOX15LMNAADRB2ADRA2ADRD2
SCHEMBL6790422 0.84 ALOX15 (0.74) ALOX15LMNAADRB2ADRA2ADRD2
Hydrochloric Acid SCHEMBL9404927 0.84 ALOX15 (0.65) ALOX15LMNAADRB2ADRA2ADRD2
SCHEMBL10338797 0.83 CCR5 (0.57) FFAR4FFAR1TRPV1CCR5
SCHEMBL6742852 0.82 ALOX15 (0.63) ALOX15LMNAADRB2ADRA2ADRD2
SCHEMBL19014351 0.82 ALOX15 (0.55) ALOX15FFAR4FFAR1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO 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
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 (2 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 622/4885FFAR4 1627/4885LMNA 1345/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885FFAR4 1570/4885LMNA 1466/4885

“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.