SCHEMBL4392116

SCHEMBL4392116

CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.70
▸ PSMB5 P28074 3/20 0.60
▸ EPHX2 P34913 3/20 0.55
▸ CNR1 P21554 2/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ SOAT2 O75908 1/20 0.51
▸ SOAT1 P35610 1/20 0.51
▸ SLC6A5 Q9Y345 2/20 0.50
▸ LPAR3 Q9UBY5 2/20 0.49
▸ LPAR1 Q92633 2/20 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
SCHEMBL4392110 1.00 FAAH (0.70) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL28518103 0.88 PSMB5 (0.68) FAAHPSMB5
SCHEMBL28518104 0.88 PSMB5 (0.68) FAAHPSMB5
SCHEMBL15285471 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL22494088 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL22494089 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL22494087 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL22494099 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL22494109 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2
SCHEMBL22494098 0.87 FAAH (0.91) FAAHPSMB5EPHX2CNR1CNR2

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 1064/4885PSMB5 3210/4885EPHX2 3917/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 FAAH 342/4885PSMB5 3138/4885EPHX2 3342/4885

“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.

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