SCHEMBL19704302

SCHEMBL19704302

CC(C)C1CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GNAI3 P08754 3/20 0.32
▸ GNAO1 P09471 3/20 0.32
▸ GNAI1 P63096 3/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL23594109 0.85 ALDH1A1 (0.36) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL20034767 0.85 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1NPC1LMNAGNAI3
SCHEMBL19698416 0.85 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1NPC1LMNAGNAI3
SCHEMBL19703993 0.84 NPC1 (0.47) SMN1; SMN2ALDH1A1NPC1LMNAGNAI3
SCHEMBL24671788 0.82 NPC1 (0.36) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL25030012 0.81 NPC1 (0.39) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL26221592 0.81 NPC1 (0.39) ALDH1A1NPC1LMNAGNAI3GNAO1
SCHEMBL19703898 0.81 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1NPC1LMNAGPR119
SCHEMBL23484948 0.81 NPC1 (0.36) ALDH1A1NPC1LMNAGNAI3GNAO1
SCHEMBL23484939 0.80 GNAI3 (0.38) ALDH1A1NPC1LMNAGNAI3GNAO1

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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 — — 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT SMN1; SMN2 2500/4885ALDH1A1 3212/4885NPC1 2704/4885

“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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