SCHEMBL18637298

SCHEMBL18637298

CC/N=c1\ccc2c(-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 4/20 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 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14192857 0.88 ABCB1 (0.54) ABCB1USP2ATMCFTRPAX8
SCHEMBL15100480 0.87 ABCB1 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL12295575 0.84 USP2 (0.63) ABCB1USP2ATMCFTRPAX8
SCHEMBL10167878 0.83 ABCB1 (0.79) ABCB1USP2ATMCFTRPAX8
SCHEMBL18637090 0.83 ABCB1 (0.56) ABCB1USP2ATMCFTRPAX8
SCHEMBL6056007 0.81 ABCB1 (0.47) ABCB1USP2ATMCFTRPAX8
SCHEMBL13653629 0.81 ABCB1 (0.47) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL5605911 0.81 USP2 (0.47) ABCB1USP2ATMCFTRPAX8
SCHEMBL14192859 0.80 ABCB1 (0.44) ABCB1USP2ATMCFTRPAX8
SCHEMBL17413919 0.79 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 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 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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