SCHEMBL18637031

SCHEMBL18637031

CC[N+](CC)=c1ccc2c(-c3ccccc3CO)c3ccc(O)c(C4OCCCO4)c3oc-2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.35
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ NCOR2 Q9Y618 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
SCHEMBL20192192 0.91 MEN1 (0.33) MEN1USP2POLBPPARGBLM
SCHEMBL18637296 0.84 ERN1 (0.35) ERN1
SCHEMBL18637030 0.79 ERN1 (0.38) ERN1MEN1USP2POLBPPARG
SCHEMBL15483660 0.75 MEN1 (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL20192126 0.73 MEN1 (0.38) MEN1USP2POLBPPARGBLM
SCHEMBL20192151 0.72 MEN1 (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL15704723 0.70 MEN1 (0.61) MEN1USP2POLBPPARGBLM
SCHEMBL18637297 0.63 ERN1 (0.38) ERN1MEN1USP2KMT2A
SCHEMBL19635158 0.61 MEN1 (0.42) MEN1USP2POLBPPARGBLM
SCHEMBL19494774 0.60 USP2 (0.53) MEN1USP2POLBPPARGBLM

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-20170073321-A1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS THE UNIVERSITY OF TOKYO (JP) 2017-03-16 — — 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-20170073321-A1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS GLB1, GLA, GUSB ERN1 1216/4885MEN1 2639/4885USP2 3117/4885

“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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