SCHEMBL19687065

SCHEMBL19687065

CNC(CNC(=O)c1cc2ccc(O)cc2oc1=O)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 10/20 0.60
▸ AKR1B1 P15121 10/20 0.60
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MIF P14174 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ S1PR4 O95977 2/20 0.57
▸ GLA P06280 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ S1PR1 P21453 2/20 0.57
▸ AKR1A1 P14550 2/20 0.57
▸ CBR1 P16152 2/20 0.57
▸ AKR1C4 P17516 2/20 0.57
▸ AKR1C3 P42330 2/20 0.57
▸ AKR1C2 P52895 2/20 0.57
▸ AKR1C1 Q04828 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.55

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
SCHEMBL15179344 1.00 AKR1B10 (0.60) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL21555600 0.90 AKR1B10 (0.61) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL18620897 0.86 AKR1B10 (0.62) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL17644096 0.85 AKR1B10 (0.61) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL15179178 0.84 KMT2A (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL19686997 0.84 KMT2A (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18620902 0.82 AKR1B10 (0.63) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL22800560 0.80 AKR1B10 (0.70) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL19890381 0.79 MEN1 (0.70) AKR1B10AKR1B1NPC1RAB9AMIF
SCHEMBL23960027 0.79 AKR1B10 (0.68) AKR1B10AKR1B1NPC1RAB9AMIF

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-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 — — 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-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL AKR1B10 3690/4885AKR1B1 3800/4885NPC1 1964/4885

“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.

Send feedback