SCHEMBL6493103

SCHEMBL6493103

CC(=O)OC1CCc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
CA2 P00918 2/20 0.43
SSTR4 P31391 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HSD11B1 P28845 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.36
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
NOTUM Q6P988 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
SCHEMBL9290880 0.87 SSTR4 (0.45) GABRA1GABRB2CA2SSTR4MTNR1A
SCHEMBL4197198 0.86 CA2 (0.43) GABRA1GABRB2CA2SSTR4HPGD
SCHEMBL7336911 0.86 CA2 (0.43) GABRA1GABRB2CA2SSTR4HPGD
SCHEMBL12038576 0.85 CA2 (0.39) GABRA1GABRB2CA2SSTR4MTNR1A
SCHEMBL9379705 0.84 CA2 (0.43) GABRA1GABRB2CA2SSTR4HPGD
SCHEMBL5695473 0.84 CA2 (0.46) GABRA1GABRB2CA2SSTR4HPGD
SCHEMBL28450234 0.84 GABRA1 (0.56) GABRA1GABRB2HPGDTSHRHDAC3
SCHEMBL28450236 0.84 GABRA1 (0.56) GABRA1GABRB2HPGDTSHRHDAC3
SCHEMBL7867727 0.81 CYP4F2 (0.45) CA2SSTR4HPGDTSHRHSD11B1
SCHEMBL5695475 0.81 CYP4F2 (0.45) CA2SSTR4HPGDTSHRHSD11B1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855833-B2 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-6855833-B2 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US disclosed
US-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US disclosed
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
US-20040014804-A1 Methods for producing amino-substituted chromanes ELI LILLY AND COMPANY 2004-01-22 US disclosed
WO-2001094330-A8 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES COR THERAPEUTICS INC (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
EP-1286983-A2 METHODS FOR PRODUCING AMINO-SUBSTITUTED CHROMANES Eli Lilly & Company (US) 2003-03-05 EP disclosed
WO-2001094330-A3 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES COR THERAPEUTICS INC (US) 2002-08-29 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
WO-2001094331-A2 METHODS FOR PRODUCING AMINO-SUBSTITUTED CHROMANES ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
WO-2001094330-A2 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES COR THERAPEUTICS, INC. (US) 2001-12-13 WO disclosed
WO-2001094330-A2 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES COR THERAPEUTICS, INC. (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
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 (4 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 GABRA1 888/4885GABRB2 1499/4885CA2 57/4885
US-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof PFKP, PDGFRA, TBXAS1 GABRA1 661/4885GABRB2 1545/4885CA2 348/4885
US-20040014804-A1 Methods for producing amino-substituted chromanes PFKP, TBXAS1, TBXA2R GABRA1 272/4885GABRB2 631/4885CA2 324/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 GABRA1 281/4885GABRB2 911/4885CA2 751/4885

“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.