SCHEMBL6963655

SCHEMBL6963655

CNC(C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ATM Q13315 2/20 0.52
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSB P07858 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL6889409 1.00 ALDH1A1 (0.56) ALDH1A1ATMMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL6889405 0.98 ALDH1A1 (0.55) ALDH1A1ATMMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL30878143 0.98 ALDH1A1 (0.55) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL9554893 0.89 ATM (0.53) ALDH1A1ATMMAPTL3MBTL1TDP1
Hydrochloric Acid SCHEMBL5090474 0.88 ATM (0.52) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL22692566 0.87 ALDH1A1 (0.58) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL19357488 0.87 ALDH1A1 (0.50) ALDH1A1ATML3MBTL1TDP1MAPK1
SCHEMBL7332996 0.86 ALDH1A1 (0.53) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL7363365 0.86 ALDH1A1 (0.53) ALDH1A1ATMMAPTHPGDHSD17B10
SCHEMBL6982935 0.86 ALDH1A1 (0.56) ALDH1A1ATMMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
EP-3904365-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2021-11-03 EP disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 ALDH1A1 1322/4885ATM 1370/4885MAPT 1537/4885

“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.