SCHEMBL31755

SCHEMBL31755

CC(C)CCOC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL21981192 0.86 ALDH1A1 (0.37) MAPK1ALDH1A1
SCHEMBL9750799 0.83 MAPK1 (0.39) MAPK1ALDH1A1
SCHEMBL21518306 0.82 MAPK1 (0.42) MAPK1
SCHEMBL13702970 0.81 LMNA (0.42) MAPK1ALDH1A1
SCHEMBL24627914 0.81 LMNA (0.54) MAPK1
SCHEMBL21162437 0.81 MAPK1 (0.33) MAPK1ALDH1A1TDP1
SCHEMBL18609228 0.81 MAPK1 (0.33) MAPK1
SCHEMBL13702974 0.79 LMNA (0.40) MAPK1ALDH1A1
SCHEMBL24627511 0.79 LMNA (0.40) MAPK1ALDH1A1
SCHEMBL13702972 0.79 LMNA (0.40) MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924548-A Catalyst component for olefin polymerization, preparation method, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2024-04-26 CN disclosed
US-20230346955-A1 COMPOUNDS FOR DEGRADING TAU PROTEIN AGGREGATES AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-02 US disclosed
WO-2023171326-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
WO-2023171325-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-08 US disclosed
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-05-25 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11642413-B2 Compounds for degrading Tau protein aggregates and uses thereof APRINOIA THERAPEUTICS LIMITED (CN) 2023-05-09 US disclosed
US-11186531-B2 Production method for alkene KUREHA CORPORATION (JP) 2021-11-30 US disclosed
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE KUREHA CORPORATION (JP) 2021-02-18 US disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 EP disclosed
WO-2005116655-A2 NATRIURETIC COMPOUNDS, CONJUGATES, AND USES THEREOF NOBEX CORPORATION (US) 2005-12-08 WO disclosed
US-20050176900-A1 Spherical catalyst for olefin polymerization ENGELHARD CORPORATION 2005-08-11 US disclosed
EP-0646103-B1 BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION AMOCO CORP (US) 1997-08-27 EP disclosed
EP-0646103-A4 BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. AMOCO CORP (US) 1995-08-09 EP disclosed
EP-0646103-A1 BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. AMOCO CORP (US) 1995-04-05 EP disclosed
WO-1993010063-A1 BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION AMOCO CORPORATION (US) 1993-05-27 WO disclosed
US-5068490-A Alkyl tert-butyl ether boron trifluoride complex as a catalyst AMOCO CORPORATION (US) 1991-11-26 US disclosed
EP-0004335-A2 Prostacyclin analogs, process and intermediates for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-03 EP disclosed
EP-0001270-A1 Analogues of prostacycline, methods for their preparation and their use in the treatment of circulatory diseases HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-04 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 (7 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF MAPK1 11/4885ALDH1A1 1973/4885CA12 4870/4885
US-11718618-B2 Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors SLC18A2, SLC6A2, SLC18A1 MAPK1 1519/4885ALDH1A1 255/4885CA12 4875/4885
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE ALK, ALKBH3, ALKBH1 MAPK1 3808/4885ALDH1A1 299/4885CA12 257/4885
US-11186531-B2 Production method for alkene ALK, ALKBH3, ALKBH1 MAPK1 3808/4885ALDH1A1 299/4885CA12 257/4885
US-20230159528-A1 VMAT2 INHIBITORS AND METHODS OF USE SLC18A2, SLC6A3, SLC6A2 MAPK1 3650/4885ALDH1A1 749/4885CA12 4473/4885
US-20230346955-A1 COMPOUNDS FOR DEGRADING TAU PROTEIN AGGREGATES AND USES THEREOF MAPT, PRNP, APP MAPK1 4217/4885ALDH1A1 1759/4885CA12 4092/4885
US-11642413-B2 Compounds for degrading Tau protein aggregates and uses thereof MAPT, PRNP, APP MAPK1 4217/4885ALDH1A1 1759/4885CA12 4092/4885

“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.