SCHEMBL4971014

SCHEMBL4971014

COCCOCC(=O)NCC1CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NAMPT P43490 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGIR P43119 1/20 0.34
FAAH O00519 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL29336927 0.87 PTGIR (0.43) POLBHPGDTDP1KDM4EPTGIR
SCHEMBL16062579 0.87 CNR1 (0.39) POLBTDP1KDM4ECNR1CNR2
SCHEMBL4762373 0.84 HPGD (0.37) POLBHPGDTDP1KDM4ECNR1
SCHEMBL13178103 0.83 HPGD (0.36) POLBHPGDTDP1KDM4ECNR1
SCHEMBL4528244 0.78 NPSR1 (0.48) HPGDTDP1CNR1CNR2MEN1
SCHEMBL14820408 0.78 NAMPT (0.36) POLBHPGDTDP1KDM4ENAMPT
SCHEMBL23135475 0.75 CNR2 (0.47) HPGDTDP1CNR1CNR2MEN1
SCHEMBL14820102 0.74 NAMPT (0.34) POLBHPGDKDM4ENAMPT
SCHEMBL18484551 0.74 NAMPT (0.34) POLBHPGDKDM4ECNR1CNR2
SCHEMBL10148006 0.74 CYP2D6 (0.42) POLBTDP1KDM4ECNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US 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 (1 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 POLB 3109/4885HPGD 415/4885TDP1 2000/4885

“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.