SCHEMBL4417787

SCHEMBL4417787

CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.65
LPAR1 Q92633 3/20 0.62
LPAR2 Q9HBW0 2/20 0.62
ENPP2 Q13822 1/20 0.62
KDM4E B2RXH2 1/20 0.61
CNR1 P21554 4/20 0.60
FAAH O00519 2/20 0.60
CNR2 P34972 2/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GLP1R P43220 3/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TRPV1 Q8NER1 1/20 0.56

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
SCHEMBL4417783 1.00 EPHX2 (0.65) EPHX2LPAR1LPAR2ENPP2KDM4E
SCHEMBL4384309 0.90 EPHX2 (0.72) EPHX2LPAR1LPAR2ENPP2KDM4E
SCHEMBL4384307 0.90 EPHX2 (0.72) EPHX2LPAR1LPAR2ENPP2KDM4E
SCHEMBL29360245 0.87 CNR1 (0.67) EPHX2LPAR1LPAR2ENPP2CNR1
SCHEMBL4397935 0.87 CNR1 (0.67) EPHX2LPAR1LPAR2ENPP2CNR1
SCHEMBL24022038 0.87 CNR1 (0.67) EPHX2LPAR1LPAR2ENPP2CNR1
SCHEMBL4397932 0.87 CNR1 (0.67) EPHX2LPAR1LPAR2ENPP2CNR1
SCHEMBL25835638 0.87 LPAR1 (0.67) EPHX2LPAR1LPAR2ENPP2KDM4E
SCHEMBL10028552 0.86 SLC6A5 (0.69) EPHX2LPAR1LPAR2ENPP2KDM4E
SCHEMBL4390152 0.85 EPHX2 (0.63) EPHX2LPAR1LPAR2ENPP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG (CN) 2012-12-06 US disclosed
US-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG 2009-12-31 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-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES GLS2, GLS, VIP EPHX2 3917/4885LPAR1 1089/4885LPAR2 656/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 EPHX2 3342/4885LPAR1 1752/4885LPAR2 1442/4885

“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.