SCHEMBL457448

SCHEMBL457448

COc1cccc2ccc[c]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2A6 P11509 1/20 0.38

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
SCHEMBL5142812 0.79 MCHR1 (0.44) CA1CA2CA7CA9MCHR1
SCHEMBL5143572 0.79 KCNH2 (0.38) ALDH1A1KDM4EHSD17B10
SCHEMBL2256393 0.79 ALDH1A1 (0.46) ALDH1A1TP53MAPTTDP1L3MBTL1
SCHEMBL7836421 0.76 MCHR1 (0.46) MCHR1MAPTCYP2A6L3MBTL1
SCHEMBL1193385 0.75 EP300 (0.47) CA1CA2CA7CA9CA12
SCHEMBL2285983 0.75 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL5535846 0.75 MPL (0.35) KDM4ECYP3A4
SCHEMBL2251308 0.74 CYP1A2 (0.50) MCHR1TDP1L3MBTL1
SCHEMBL852743 0.73 EP300 (0.41) CA1CA2CA7CA9CA12
SCHEMBL4306593 0.73 CYP1A2 (0.42) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2010-11-11 US claimed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN disclosed
CN-114907387-B Pyrimido pyrrole KRAS inhibitor and preparation method and application thereof 中山大学 2023-11-10 CN disclosed
EP-2123695-B1 METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN MITSUI CHEMICALS INC (JP) 2021-06-23 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 EP disclosed
EP-2230271-B1 ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2016-09-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 EP disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
US-5391556-A Thrombin inhibitors KARL THOMAE GMBH (DE) 1995-02-21 US disclosed
EP-0555824-A1 N-alpha-arylsulfonylated benzimidazolylalaninamide derivatives, medicaments based thereon and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed
US-4716169-A INOTROPIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-12-29 US disclosed
EP-0185345-A1 Imidazo derivatives, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 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-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS OXTR, AVPR2, AVPR1A CA1 2341/4885CA2 1913/4885CA7 2887/4885

“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.