SCHEMBL6747489

SCHEMBL6747489

O=COC1CCc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HTR1A P08908 5/20 0.37
HTR1D P28221 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SSTR4 P31391 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
AOC2 O75106 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL27479914 0.77 CA2 (0.44) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL29715788 0.77 CA2 (0.44) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL3338829 0.77 CA2 (0.44) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL30059897 0.77 CA2 (0.41) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL28186842 0.77 CA2 (0.41) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL9290880 0.77 SSTR4 (0.45) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL7336911 0.75 CA2 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4197198 0.75 CA2 (0.43) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL27835408 0.75 CA2 (0.42) CA2HTR1AHTR1DSIGMAR1ADRA2A
SCHEMBL6493103 0.74 GABRA1 (0.47) CA2SSTR4HDAC3HDAC1HDAC2

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 7 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
WO-2001094335-A8 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR LILLY CO ELI (US) 2003-11-06 WO 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-A3 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR LILLY CO ELI (US) 2002-08-08 WO 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
US-5290797-A Benzopyran compounds ADIR ET COMPAGNIE (FR) 1994-03-01 US 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 CA2 751/4885HTR1A 278/4885HTR1D 334/4885

“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.