SCHEMBL9818795

SCHEMBL9818795

CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALDH1A1 P00352 9/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 7/20 0.50
GAA P10253 6/20 0.50
HPGD P15428 4/20 0.50
GLA P06280 4/20 0.50
CASP1 P29466 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP7 P55210 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MALT1 Q9UDY8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
AKR1B1 P15121 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45

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
SCHEMBL10712504 0.93 MAPT (0.55) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL617317 0.81 KDM4E (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL8138279 0.80 KDM4E (0.47) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL6266913 0.80 NPC1 (0.41) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL11103515 0.80 KDM4E (0.63) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL8797468 0.80 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL8539954 0.80 NPC1 (0.44) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL10637355 0.80 AKR1B1 (0.48) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL8566926 0.79 HDAC3 (0.53) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL13339672 0.78 HDAC3 (0.53) ALDH1A1NPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994079-A Method for synthesizing chromone, 1-thiochromone and gamma-pyrone compounds 中国科学院上海药物研究所 2024-11-22 CN disclosed
EP-2714697-B1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN LA ROCHE (CH) 2016-08-31 EP disclosed
US-9079919-B2 Spiro-[1,3]-oxazines and spiro-[1,4]-oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-07-14 US disclosed
WO-2012163790-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-06 WO disclosed
US-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-11-29 US disclosed
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 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-20120302549-A1 SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN1 MAPT 123/4885ALDH1A1 126/4885NPC1 463/4885

“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.