SCHEMBL3614745

SCHEMBL3614745

CCCC(=O)c1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PTGS2 P35354 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 2/20 0.50
CYP26A1 O43174 1/20 0.49
CYP26B1 Q9NR63 1/20 0.49
HDAC3 O15379 1/20 0.49
TNKS O95271 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3614748 1.00 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PTGS2NPSR1
SCHEMBL4667601 0.88 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2PTGS2NPSR1
SCHEMBL4667605 0.88 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2PTGS2NPSR1
SCHEMBL10881897 0.83 HPGD (0.42) ALDH1A1SMN1; SMN2HDAC3HDAC1HPGD
SCHEMBL7551980 0.83 NPSR1 (0.56) KDM4EALDH1A1SMN1; SMN2PTGS2NPSR1
SCHEMBL8581009 0.81 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL10414503 0.81 NPSR1 (0.54) KDM4EALDH1A1SMN1; SMN2PTGS2NPSR1
SCHEMBL10414504 0.81 NPSR1 (0.54) KDM4EALDH1A1SMN1; SMN2PTGS2NPSR1
SCHEMBL95049 0.81 UNG (0.58) ALDH1A1SMN1; SMN2NPSR1HPGDL3MBTL1
SCHEMBL3617907 0.81 ESR1 (0.55) KDM4EALDH1A1SMN1; SMN2PKMHDAC3

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-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-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

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 KDM4E 1835/4885ALDH1A1 3196/4885SMN1; SMN2 2253/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 KDM4E 1803/4885ALDH1A1 3103/4885SMN1; SMN2 2272/4885

“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.