SCHEMBL18909647

SCHEMBL18909647

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
PARP1 P09874 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
HPGDS O60760 2/20 0.46
ACE P12821 4/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRND Q07001 1/20 0.46
MMP1 P03956 2/20 0.45
CAPN1 P07384 1/20 0.45
HPRT1 P00492 1/20 0.45
FCER2 P06734 1/20 0.45
PSMB5 P28074 1/20 0.44

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
SCHEMBL18909650 0.89 PARP1 (0.47) ITGB3ITGA2BPARP1PARP3HPGDS
SCHEMBL26034243 0.89 PARP1 (0.47) ITGB3ITGA2BPARP1PARP3HPGDS
SCHEMBL22472727 0.85 ITGB3 (0.50) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL17178203 0.83 CHRNA1 (0.44) ITGB3ITGA2BPARP1PARP3HPGDS
SCHEMBL3148220 0.82 CTSG (0.54) ITGB3ITGA2BPARP1PARP3HPGDS
SCHEMBL16330787 0.81 CHRNA1 (0.45) ITGB3ITGA2BHPGDSCHRNA1CHRNG
SCHEMBL26425109 0.79 MME (0.56) PARP1PARP3HPGDSACEMMP1
SCHEMBL1329813 0.79 CTSC (0.59) PARP1PARP3HPGDSMMP1FCER2
SCHEMBL1329814 0.79 CTSC (0.59) PARP1PARP3HPGDSMMP1FCER2
SCHEMBL8258217 0.78 PSMB5 (0.58) ITGB3ITGA2BPARP1PARP3HPGDS

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-20170151339-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TVA (ABC), LLC 2017-06-01 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-20170151339-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF CD47, CD44, FURIN ITGB3 557/4885ITGA2B 362/4885PARP1 2288/4885

“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.