SCHEMBL3390868

SCHEMBL3390868

Cc1ccc2ccc(C(=O)O)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.71
CYP1A2 P05177 2/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 3/20 0.53
SRD5A2 P31213 1/20 0.52
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
TPMT P51580 1/20 0.46
PIN1 Q13526 1/20 0.46
CTRC Q99895 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
ENPP2 Q13822 1/20 0.44

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
SCHEMBL2614267 0.94 CYP2A6 (0.62) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31129157 0.94 CYP2A6 (0.62) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9099287 0.94 CYP2A6 (0.62) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6914787 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6918038 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6918039 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6914530 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6915339 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6914791 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6913129 0.92 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1SMN1; SMN2KDM4E

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
EP-3230339-B1 EPOXY RESIN COMPOSITION, PREPREG, FIBER-REINFORCED PLASTIC MATERIAL, AND MANUFACTURING METHOD FOR FIBER-REINFORCED PLASTIC MATERIAL TORAY INDUSTRIES (JP) 2022-03-23 EP disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
CN-107001594-B Composition epoxy resin, prepreg, the manufacturing method of fiber reinforced plastic materials and fiber reinforced plastic materials 东丽株式会社 2019-07-23 CN disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 US disclosed
US-20170362376-A1 EPOXY RESIN COMPOSITION, PREPREG, FIBER-REINFORCED PLASTIC MATERIAL, AND MANUFACTURING METHOD FOR FIBER-REINFORCED PLASTIC MATERIAL TORAY INDUSTRIES, INC. (JP) 2017-12-21 US disclosed
EP-3230339-A1 EPOXY RESIN COMPOSITION, PREPREG, FIBER-REINFORCED PLASTIC MATERIAL, AND MANUFACTURING METHOD FOR FIBER-REINFORCED PLASTIC MATERIAL Toray Industries, Inc. (JP) 2017-10-18 EP disclosed
CN-107001594-A Composition epoxy resin, prepreg, the manufacture method of fiber reinforced plastic materials and fiber reinforced plastic materials 东丽株式会社 2017-08-01 CN disclosed
WO-2016087935-A1 EPOXY RESIN COMPOSITION, PREPREG, FIBER-REINFORCED PLASTIC MATERIAL, AND MANUFACTURING METHOD FOR FIBER-REINFORCED PLASTIC MATERIAL TORAY INDUSTRIES, INC. (JP) 2016-06-09 WO disclosed
CN-1049434-C Aromatic amidine derivatives and pharmaceutically acceptable salts thereof DAIICHI SEIYAKU CO (JP) 2000-02-16 CN disclosed
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
CN-1072677-A Aromatic amidine derivative and salt thereof DAIICHI SEIYAKU CO (JP) 1993-06-02 CN disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP 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 (3 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CYP2A6 1287/4885CYP1A2 219/4885ALDH1A1 607/4885
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof STAT6, STAT5B, STAT5A CYP2A6 3090/4885CYP1A2 4394/4885ALDH1A1 3158/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 CYP2A6 1392/4885CYP1A2 241/4885ALDH1A1 583/4885

“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.