SCHEMBL23657531

SCHEMBL23657531

CCC1CCc2c(sc(NC(=O)c3c(C)noc3C)c2C(N)=O)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.69
▸ KDM4E B2RXH2 9/20 0.69
▸ HPGD P15428 8/20 0.69
▸ HSD17B10 Q99714 5/20 0.69
▸ MAPT P10636 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ USP2 O75604 1/20 0.69
▸ XBP1 P17861 1/20 0.69
▸ L3MBTL1 Q9Y468 3/20 0.68
▸ NPSR1 Q6W5P4 3/20 0.68
▸ RAB9A P51151 3/20 0.67
▸ TP53 P04637 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ AIP O00170 1/20 0.62
▸ SGTA O43765 1/20 0.62
▸ TOMM70 O94826 1/20 0.62
▸ STIP1 P31948 1/20 0.62

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
SCHEMBL5453282 0.76 AIP (0.71) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5451446 0.76 AIP (0.71) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5460515 0.75 AIP (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1066142 0.74 FLT3 (0.68) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1067537 0.71 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8290603 0.71 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5454136 0.70 REV1 (0.81) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL16445312 0.69 CFTR (0.62) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8293361 0.69 PTPN1 (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5449182 0.68 PDE4B (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPT

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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 — — 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA ALDH1A1 98/4885KDM4E 1784/4885HPGD 512/4885

“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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