SCHEMBL4397935

SCHEMBL4397935

CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCO

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
TRPV1 Q8NER1 2/20 0.67
MEN1 O00255 1/20 0.67
MAPT P10636 1/20 0.67
ALOX12 P18054 1/20 0.67
BLM P54132 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
EPHX2 P34913 3/20 0.65
LPAR1 Q92633 2/20 0.64
LPAR2 Q9HBW0 2/20 0.64
ENPP2 Q13822 1/20 0.64
CNR2 P34972 1/20 0.63
TRPM8 Q7Z2W7 1/20 0.60

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
SCHEMBL4397932 1.00 CNR1 (0.67) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL24022038 1.00 CNR1 (0.67) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL29360245 1.00 CNR1 (0.67) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL4387701 0.99 CNR1 (0.68) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL30571202 0.92 CNR1 (0.73) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL31297081 0.92 CNR1 (0.73) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL26258055 0.92 CNR1 (0.73) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL28877318 0.92 NAAA (0.57) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL10579388 0.92 NAAA (0.57) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL23193936 0.92 NAAA (0.57) CNR1ALDH1A1HPGDTRPV1MEN1

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 CNR1 4623/4885ALDH1A1 2525/4885HPGD 1854/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 CNR1 4467/4885ALDH1A1 2880/4885HPGD 1385/4885

“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.