SCHEMBL3356400

SCHEMBL3356400

CCOC(=O)C1CC(=O)c2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 5/20 0.48
MAOB P27338 3/20 0.48
TSHR P16473 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
AR P10275 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD11B1 P28845 1/20 0.45
AKR1C3 P42330 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7764064 1.00 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7767263 1.00 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23662191 0.84 MAOB (0.51) MAPTMAOBADORA3ARKDM4E
SCHEMBL24496711 0.84 MAOB (0.51) MAPTMAOBADORA3ARKDM4E
SCHEMBL3399029 0.84 MAOB (0.51) MAPTMAOBADORA3ARKDM4E
SCHEMBL29586863 0.84 MAOB (0.51) MAPTMAOBADORA3ARKDM4E
SCHEMBL22617489 0.84 MAOB (0.53) MAPTMAOBADORA3ARKDM4E
SCHEMBL22617255 0.84 MAOB (0.53) MAPTMAOBADORA3ARKDM4E
SCHEMBL17960189 0.83 CYP19A1 (0.51) MAOBCYP19A1
SCHEMBL3355709 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979982-A Preparation method and application of chiral dihydrochromone-2-carboxylic acid compound and derivative thereof 中国人民解放军空军军医大学 2022-01-28 CN disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
WO-2010023512-A1 NOVEL VANILLOID RECEPTOR MODULATORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (IN) 2010-03-04 WO 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
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 (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 ALDH1A1 453/4885MAPT 4727/4885HPGD 732/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALDH1A1 1242/4885MAPT 2573/4885HPGD 1116/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 ALDH1A1 869/4885MAPT 4852/4885HPGD 666/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALDH1A1 1142/4885MAPT 2392/4885HPGD 1040/4885

“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.