SCHEMBL6747484

SCHEMBL6747484

CC(=O)OC1CC(=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
EPHX1 P07099 1/20 0.39
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPRC P08575 1/20 0.38
S100A4 P26447 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL6744331 0.81 MEN1 (0.53) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL9818948 0.79 PBRM1 (0.60) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6744327 0.78 MEN1 (0.55) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6814103 0.78 KMT2A (0.55) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6745991 0.76 KMT2A (0.48) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6492850 0.76 CYP3A4 (0.45) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6493308 0.76 CYP3A4 (0.45) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6745132 0.75 MEN1 (0.52) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6745130 0.75 MEN1 (0.52) RAB9AMEN1KMT2ANPC1AKR1B1
SCHEMBL6747478 0.75 MEN1 (0.52) RAB9AMEN1KMT2ANPC1AKR1B1

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
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
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

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-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 RAB9A 2678/4885MEN1 3183/4885KMT2A 3191/4885

“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.