SCHEMBL14655196

SCHEMBL14655196

CCNc1ccc(OC)c(C(=O)N[C@@H](CCCNC(=N)N)C(=O)CNC)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ NPY4R P50391 5/20 0.33
▸ NPY1R P25929 4/20 0.33
▸ NPY2R P49146 3/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19445501 0.82 NPY4R (0.38) ALDH1A1TAS1R3TAS1R1NPY4RNPY1R
SCHEMBL19445675 0.79 ALDH1A1 (0.43) LMNAALDH1A1GAAKDM4EPOLB
SCHEMBL19445176 0.78 LMNA (0.41) LMNAALDH1A1POLB
SCHEMBL15277771 0.77 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL13973705 0.76 NPY4R (0.39) LMNANPY4RNPY1RNPY2RNPY5R
SCHEMBL17949771 0.76 HTR2A (0.41) ALDH1A1TAS1R3TAS1R1NPY4RNPY1R
SCHEMBL14655194 0.76 ITGB3 (0.36) LMNATAS1R3TAS1R1MAPT
SCHEMBL12515508 0.76 ALDH1A1 (0.41) LMNAALDH1A1NPY4RNPY1RPOLB
SCHEMBL15277770 0.76 MMP2 (0.41) LMNANPY4RNPY1RMAPT
SCHEMBL10262220 0.76 ALDH1A1 (0.41) LMNAALDH1A1NPY4RNPY1RPOLB

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-20130023561-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2013-01-24 — — 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-20130023561-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof TLR3, ABHD16A, ANTXR2 LMNA 1283/4885ALDH1A1 4843/4885TAS1R3 151/4885

“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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