SCHEMBL4394888

SCHEMBL4394888

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.57
SLC6A5 Q9Y345 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
EPHX2 P34913 4/20 0.50
PLA2G2A P14555 1/20 0.49
PLA2G5 P39877 1/20 0.49
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL4394889 1.00 FAAH (0.57) FAAHSLC6A5SMN1; SMN2MEN1KMT2A
SCHEMBL4383689 0.93 FAAH (0.66) FAAHSLC6A5SMN1; SMN2EPHX2PLA2G2A
SCHEMBL4383693 0.93 FAAH (0.66) FAAHSLC6A5SMN1; SMN2EPHX2PLA2G2A
SCHEMBL4383643 0.91 FAAH (0.58) FAAHSLC6A5SMN1; SMN2MEN1KMT2A
SCHEMBL4383639 0.91 FAAH (0.58) FAAHSLC6A5SMN1; SMN2MEN1KMT2A
SCHEMBL4388613 0.86 FAAH (0.53) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL4388617 0.86 FAAH (0.53) FAAHSLC6A5SMN1; SMN2EPHX2KDM4E
SCHEMBL9829112 0.85 PLA2G2A (0.61) FAAHSLC6A5SMN1; SMN2MEN1KMT2A
SCHEMBL2381772 0.85 PLA2G2A (0.61) FAAHSMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL9829119 0.85 PLA2G2A (0.61) FAAHSLC6A5SMN1; SMN2MEN1KMT2A

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.