SCHEMBL6745996

SCHEMBL6745996

CCOC(=O)C[C@@H]1CCc2cc(N)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
MIF P14174 1/20 0.38
S1PR1 P21453 2/20 0.37
SGPL1 O95470 1/20 0.37
SLC8A1 P32418 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7981034 1.00 CYP4F2 (0.47) CYP4F2CYP4A11ITGB3ITGA2BMIF
SCHEMBL6307386 1.00 CYP4F2 (0.47) CYP4F2CYP4A11ITGB3ITGA2BMIF
Hydrochloric Acid SCHEMBL7980574 0.99 CYP4F2 (0.46) CYP4F2CYP4A11ITGB3ITGA2BMIF
Hydrochloric Acid SCHEMBL6343970 0.99 CYP4F2 (0.46) CYP4F2CYP4A11ITGB3ITGA2BMIF
Hydrochloric Acid SCHEMBL6744719 0.99 CYP4F2 (0.46) CYP4F2CYP4A11ITGB3ITGA2BMIF
Toluene SCHEMBL6346328 0.93 CYP4F2 (0.43) CYP4F2CYP4A11ITGB3ITGA2BSLC8A1
SCHEMBL6954907 0.86 CYP4F2 (0.48) CYP4F2CYP4A11MIF
SCHEMBL5640207 0.85 CYP4F2 (0.47) CYP4F2CYP4A11ITGB3ITGA2BMIF
SCHEMBL7979003 0.84 CYP4F2 (0.46) CYP4F2CYP4A11ITGB3ITGA2BMIF
SCHEMBL6355159 0.82 CA2 (0.50) CYP4F2CYP4A11L3MBTL1CA2

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 5 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
WO-2001087871-A2 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-11-22 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 CYP4F2 194/4885CYP4A11 6/4885ITGB3 1671/4885

“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.