SCHEMBL6745976

SCHEMBL6745976

CCOC(=O)CC1CC(=O)c2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.49
SIGMAR1 Q99720 2/20 0.48
CYP1A2 P05177 1/20 0.46
MAOB P27338 3/20 0.46
HTR1A P08908 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ADORA3 P0DMS8 3/20 0.44
AR P10275 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HSD11B1 P28845 1/20 0.43
AKR1C3 P42330 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
MIF P14174 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6350221 0.80 MAOB (0.55) ABCB1SIGMAR1MAOBHTR1AALDH1A1
SCHEMBL6747761 0.79 KMT2A (0.47) ALDH1A1KDM4EHSD17B10NPC1MAPT
SCHEMBL6745971 0.79 KMT2A (0.47) ALDH1A1KDM4EHSD17B10NPC1MAPT
SCHEMBL7767263 0.78 ALDH1A1 (0.53) MAOBALDH1A1ADORA3ARKDM4E
SCHEMBL7764064 0.78 ALDH1A1 (0.53) MAOBALDH1A1ADORA3ARKDM4E
SCHEMBL3356400 0.78 ALDH1A1 (0.53) MAOBALDH1A1ADORA3ARKDM4E
SCHEMBL23662356 0.78 MAOB (0.56) ABCB1SIGMAR1MAOBHTR1AADORA3
SCHEMBL6828123 0.78 MAOB (0.56) ABCB1SIGMAR1MAOBHTR1AADORA3
SCHEMBL3257424 0.77 MEN1 (0.62) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL11390069 0.76 MAOB (0.53) ABCB1SIGMAR1MAOBHTR1AADORA3

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 ABCB1 4286/4885SIGMAR1 3101/4885CYP1A2 340/4885

“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.