SCHEMBL18637090

SCHEMBL18637090

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)OC)c3ccc(O)cc3oc-2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.56
▸ USP2 O75604 5/20 0.55
▸ ATM Q13315 2/20 0.55
▸ CFTR P13569 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ GOPC Q9HD26 1/20 0.55
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ FPR2 P25090 4/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ HPGD P15428 3/20 0.39

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
SCHEMBL20192210 0.90 ABCB1 (0.55) ABCB1USP2ATMCFTRPAX8
SCHEMBL19494774 0.89 USP2 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL9007850 0.87 USP2 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL19494775 0.85 ABCB1 (0.42) ABCB1USP2ATMCFTRPAX8
SCHEMBL12295575 0.84 USP2 (0.63) ABCB1USP2ATMCFTRPAX8
SCHEMBL10167878 0.83 ABCB1 (0.79) ABCB1USP2ATMCFTRPAX8
SCHEMBL18637298 0.83 ABCB1 (0.56) ABCB1USP2ATMCFTRPAX8
SCHEMBL19494783 0.82 ABCB1 (0.46) ABCB1USP2ATMCFTRPAX8
SCHEMBL15483660 0.81 MEN1 (0.45) ABCB1USP2ATMMEN1KMT2A
SCHEMBL19494880 0.81 ABCB1 (0.45) ABCB1USP2ATMCFTRPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981934-B2 Enzyme-specific fluorescent compound capable of being retained in cells THE UNIVERSITY OF TOKYO (JP) 2018-05-29 — — US disclosed
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 ABCB1 1051/4885USP2 3117/4885ATM 4591/4885

“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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