SCHEMBL6745971

SCHEMBL6745971

CCOC(=O)CC1CC(=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
DGAT1 O75907 1/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6747761 1.00 KMT2A (0.47) KMT2ANPC1MEN1RAB9ALMNA
SCHEMBL6745132 0.84 MEN1 (0.52) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6745130 0.84 MEN1 (0.52) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6747478 0.84 MEN1 (0.52) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL6745991 0.82 KMT2A (0.48) KMT2ANPC1MEN1RAB9ALMNA
SCHEMBL6505635 0.79 MAPT (0.44) KMT2ALMNAMAPTALDH1A1TDP1
SCHEMBL6745976 0.79 ABCB1 (0.49) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL11107922 0.75 MAPT (0.43) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6747484 0.75 RAB9A (0.52) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL13636914 0.74 KMT2A (0.41) KMT2ANPC1MEN1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756403-B2 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID ELI LILLY AND COMPANY 2004-06-29 US disclosed
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor ELI LILLY AND COMPANY 2004-03-18 US disclosed
US-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives MILLENNIUM PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1292589-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 2003-03-19 EP disclosed
WO-2001094335-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
WO-2001092249-A2 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS, INC. (US) 2001-12-06 WO 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 (2 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-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives ACAT2, ACACA, COASY KMT2A 1798/4885NPC1 3933/4885MEN1 4271/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 KMT2A 3191/4885NPC1 4290/4885MEN1 3183/4885

“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.