SCHEMBL2803563

SCHEMBL2803563

CCCCC1(O)C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 6/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1349916 0.94 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2EPHX2GAA
SCHEMBL4712177 0.92 EPHX2 (0.39) ALDH1A1SMN1; SMN2EPHX2GAA
SCHEMBL4710638 0.92 EPHX2 (0.39) ALDH1A1SMN1; SMN2EPHX2GAA
SCHEMBL15922888 0.87 GRIN2D (0.31) ALDH1A1SMN1; SMN2EPHX2
SCHEMBL15922889 0.87 GRIN2D (0.31) ALDH1A1SMN1; SMN2EPHX2
SCHEMBL4712185 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15923054 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29078826 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15922573 0.81 EPHX2 (0.33) EPHX2
SCHEMBL15922575 0.81 EPHX2 (0.33) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789600-A Preparation method and application of novel tetrahydroindazole antitumor compound 深圳市人民医院 2023-09-22 CN claimed
CN-116444438-B Benzamide compound and preparation method, using method and application thereof 深圳市人民医院 2024-02-13 CN disclosed
CN-116789600-A Preparation method and application of novel tetrahydroindazole antitumor compound 深圳市人民医院 2023-09-22 CN disclosed
CN-116444438-A Benzamide compound and preparation method, using method and application thereof 深圳市人民医院 2023-07-18 CN disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20140205947-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2014-07-24 US disclosed
US-20140205947-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2014-07-24 US disclosed
EP-1637514-B1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE TOSOH F TECH INC (JP) 2014-05-07 EP disclosed
US-7781131-B2 Positive photosensitive resin composition, cured layer , protecting layer, insulating layer and semiconductor device and display therewith SUMITOMO BAKELITE CO., LTD. (JP) 2010-08-24 US disclosed
US-20090068584-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED LAYER, PROTECTING LAYER, INSULATING LAYER AND SEMICONDUCTOR DEVICE AND DISPLAY THEREWITH SUMITOMO BAKELITE CO., LTD. (JP) 2009-03-12 US disclosed
US-20030158437-A1 Processes for preparation of 2-alkyl-2adamantyl esters TOKUYAMA CORPORATION (JP) 2003-08-21 US disclosed
US-20030135068-A1 Process for preparation of high-purity organic compounds TAKUYAMA CORPORATION (JP) 2003-07-17 US disclosed
EP-1314713-A1 PROCESSES FOR PREPARATION OF 2-ALKYL-2-ADAMANTYL ESTERS TOKUYAMA CORPORATION (JP) 2003-05-28 EP disclosed
US-6531511-B1 N-methyl aspartate receptor antagonist VERNALIS RESEARCH LIMITED (GB) 2003-03-11 US disclosed
EP-1284252-A1 PROCESS FOR PREPARATION OF HIGH-PURITY ORGANIC COMPOUNDS TOKUYAMA CORPORATION (JP) 2003-02-19 EP disclosed
EP-1143964-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2001-10-17 EP disclosed
US-6248920-B1 REACTING AN ALDEHYDE OR KETONE COMPOUND AND AN ACID HALIDE COMPOUND IN A ONE POT REACTION IN THE PRESENCE OF AN ORGANOMETALLIC COMPOUND TO DIRECTLY FORM THE ESTERS WITHOUT FORMING AN INTERMEDIATE ALCOHOL FUJITSU LIMITED (JP) 2001-06-19 US disclosed
US-6174646-B1 IMAGEWISE HEATING OR EXPOSING IMAGE FORMING MATERIAL TO LASER WHEREIN IMAGE FORMING MATERIAL COMPRISES SUPPORT HAVING RADIATION SENSITIVE LAYER CONTAINING DYE, AN ACID GENERATING COMPOUND CAPABLE OF GENERATING ACID ON IRRADIATION KONICA CORPORATION (JP) 2001-01-16 US disclosed
WO-2000044371-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO disclosed
EP-0911153-A1 Image forming method KONICA CORPORATION (JP) 1999-04-28 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 ALDH1A1 2128/4885SMN1; SMN2 3655/4885EPHX2 1124/4885
US-20030158437-A1 Processes for preparation of 2-alkyl-2adamantyl esters ADSL, GRIN2D, SLC43A1 ALDH1A1 403/4885SMN1; SMN2 1592/4885EPHX2 891/4885
US-20030135068-A1 Process for preparation of high-purity organic compounds ALKBH5, MSMO1, MEP1B ALDH1A1 410/4885SMN1; SMN2 796/4885EPHX2 995/4885

“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.