SCHEMBL2701871

SCHEMBL2701871

C[C](C)OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
EPHX1 P07099 2/20 0.45
NAAA Q02083 2/20 0.41
HTT P42858 2/20 0.39
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2702116 0.97
SCHEMBL14992265 0.91
SCHEMBL14991946 0.84
SCHEMBL6178235 0.82 CA1 (0.48) CA1CA2CA12CA9EPHX1
SCHEMBL191779 0.79 CA12 (0.46) CA1CA2CA12CA9EPHX1
SCHEMBL23018499 0.78 EPHX1 (0.52) CA1CA2CA12CA9EPHX1
SCHEMBL19063411 0.78 EPHX1 (0.52) CA1CA2CA12CA9EPHX1
SCHEMBL23506964 0.78 EPHX1 (0.52) CA1CA2CA12CA9EPHX1
SCHEMBL22540554 0.78 EPHX1 (0.52) CA1CA2CA12CA9EPHX1
SCHEMBL93396 0.78 EPHX1 (0.52) CA1CA2CA12CA9EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
EP-2447773-B1 Method for producing a pattern, method for producing a MEMS structure, use of a cured film of a photosensitive composition as a sacrificial layer or as a component of a MEMS structure FUJIFILM CORP (JP) 2013-07-10 EP disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20120107563-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING PATTERN, MEMS STRUCTURE, METHOD FOR PRODUCING THE STRUCTURE, METHOD FOR DRY ETCHING, METHOD FOR WET ETCHING, MEMS SHUTTER DEVICE, AND IMAGE DISPLAY APPARATUS FUJIFILM CORPORATION (JP) 2012-05-03 US disclosed
EP-2447773-A1 Photosensitive resin composition, method for producing pattern, MEMS structure, method for producing the structure, method for dry etching, method for wet etching, MEMS shutter device, and image display apparatus Fujifilm Corporation (JP) 2012-05-02 EP disclosed
US-20080187859-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2008-08-07 US disclosed
US-20070269735-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2007-11-22 US disclosed
EP-1736829-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-12-27 EP disclosed
EP-1726608-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-11-29 EP disclosed
US-20060223001-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-05 US disclosed
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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 (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-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CA1 3047/4885CA2 2364/4885CA12 2989/4885

“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.