SCHEMBL6744327

SCHEMBL6744327

O=C1CC(C(=O)O)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
AKR1B1 P15121 1/20 0.40
AR P10275 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 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
SCHEMBL6814103 0.89 KMT2A (0.55) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6745991 0.82 KMT2A (0.48) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL13712678 0.82 AKR1B1 (0.43) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6747478 0.81 MEN1 (0.52) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6745132 0.81 MEN1 (0.52) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6745130 0.81 MEN1 (0.52) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL9818948 0.79 PBRM1 (0.60) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL13295835 0.79 AKR1B1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2CA9
SCHEMBL14053278 0.78 NPC1 (0.72) MEN1NPC1RAB9AKMT2AAR
SCHEMBL14053279 0.78 NPC1 (0.72) MEN1NPC1RAB9AKMT2AAR

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 MEN1 4271/4885NPC1 3933/4885RAB9A 1662/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 MEN1 3183/4885NPC1 4290/4885RAB9A 2678/4885

“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.