SCHEMBL4384307

SCHEMBL4384307

CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCNC(=O)CCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.72
KDM4E B2RXH2 1/20 0.67
CNR1 P21554 5/20 0.67
FAAH O00519 3/20 0.67
CNR2 P34972 2/20 0.67
LPAR1 Q92633 2/20 0.64
LPAR2 Q9HBW0 2/20 0.64
ENPP2 Q13822 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
SLC6A5 Q9Y345 2/20 0.61
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
TRPV1 Q8NER1 1/20 0.59
ALOX12 P18054 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL4384309 1.00 EPHX2 (0.72) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4384386 0.92 EPHX2 (0.85) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4384381 0.92 EPHX2 (0.85) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4390156 0.90 EPHX2 (0.63) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4390152 0.90 EPHX2 (0.63) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4417783 0.90 EPHX2 (0.65) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4417787 0.90 EPHX2 (0.65) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL25835638 0.89 LPAR1 (0.67) EPHX2KDM4ECNR1LPAR1LPAR2
SCHEMBL10081341 0.89 EPHX2 (0.91) EPHX2KDM4ECNR1FAAHCNR2
SCHEMBL4387701 0.88 CNR1 (0.68) EPHX2CNR1CNR2LPAR1LPAR2

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-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
EP-2123283-A1 THE TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER EFFECT Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-11-25 EP disclosed
CN-101225094-A Anthraquinones tetracyclic compound having anticancer activity TIANJIN HEMEI BIOTECHNOLOGY CO (CN) 2008-07-23 CN 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 3917/4885KDM4E 4614/4885CNR1 4623/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 EPHX2 3342/4885KDM4E 3405/4885CNR1 4467/4885

“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.