SCHEMBL4383639

SCHEMBL4383639

CCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.58
SLC6A5 Q9Y345 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX2 P34913 4/20 0.54
KDM4E B2RXH2 1/20 0.51
CNR1 P21554 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
CNR2 P34972 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4383643 1.00 FAAH (0.58) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL4383689 0.93 FAAH (0.66) FAAHSLC6A5SMN1; SMN2EPHX2
SCHEMBL4383693 0.93 FAAH (0.66) FAAHSLC6A5SMN1; SMN2EPHX2
SCHEMBL4388613 0.93 FAAH (0.53) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL4388617 0.93 FAAH (0.53) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL4394888 0.91 FAAH (0.57) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL4394889 0.91 FAAH (0.57) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL4396664 0.87 EPHX2 (0.48) FAAHSLC6A5SMN1; SMN2EPHX2
SCHEMBL4396660 0.87 EPHX2 (0.48) FAAHSLC6A5SMN1; SMN2EPHX2
SCHEMBL4392874 0.86 GLP1R (0.49) FAAHSLC6A5SMN1; SMN2EPHX2

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 3 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

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 FAAH 1064/4885SLC6A5 2936/4885SMN1; SMN2 3573/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 FAAH 342/4885SLC6A5 3362/4885SMN1; SMN2 3372/4885

“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.