SCHEMBL4945757

SCHEMBL4945757

CC(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 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
SCHEMBL7975059 0.85
SCHEMBL302529 0.82
SCHEMBL272208 0.79
SCHEMBL28612695 0.79
SCHEMBL105383 0.75
SCHEMBL24453458 0.75
SCHEMBL721893 0.75 LMNA (0.58)
SCHEMBL6035995 0.75 MAPK1 (0.35) MAPK1
SCHEMBL3312764 0.75
SCHEMBL20223616 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023222559-A1 PROCESS FOR PREPARING DEUTERATED ORGANIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-11-23 WO disclosed
US-20220411361-A1 CARBONATE CONTAINING LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2022-12-29 US disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 US disclosed
US-9932294-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-04-03 US disclosed
US-9771355-B2 Compositions and methods for the treatment of epilepsy and neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-09-26 US disclosed
US-9765020-B2 Dichlorophenyl-imino compounds and compositions, and methods for the treatment of mucositis CELLIX BIO PRIVATE LIMITED (IN) 2017-09-19 US disclosed
US-9738631-B2 Compositions and methods for the treatment of neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-08-22 US disclosed
US-9642915-B2 Compositions and methods for the treatment of neuromuscular disorders and neurodegenerative diseases CELLIX BIO PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-9624168-B2 Compositions and methods for the treatment inflammation and lipid disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-04-18 US disclosed
US-9604920-B2 Compositions and methods for the treatment of hyperglycemia and metabolic syndrome ALAPATI MOHAN MURALI (IN) 2017-03-28 US disclosed
EP-1059279-B1 Polyvinyl ether compound and method of preperation IDEMITSU KOSAN CO (JP) 2005-08-17 EP disclosed
US-20040106808-A1 Processes for preparing calanolide a and intermediates thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-06-03 US disclosed
EP-1352907-A1 PROCESSES FOR PREPARING CALANOLIDE A AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2003-10-15 EP disclosed
EP-1059279-A1 Polyvinyl ether compound and method of preperation IDEMITSU KOSAN CO., LTD. (JP) 2000-12-13 EP disclosed
EP-0644175-B1 POLYVINYL ETHER COMPOUND AND LUBRICATING OIL IDEMITSU KOSAN CO (JP) 1999-10-20 EP disclosed
US-5616812-A POLYMERIZING VINYL ETHER IN THE PRESENCE OF CATALYST AND SPECIFIC ACETAL IDEMITSU KOSAN CO., LTD. (JP) 1997-04-01 US disclosed
US-5589597-A HYDROGENATION IDEMITSU KOSAN CO., LTD. (JP) 1996-12-31 US disclosed
US-5523491-A REACTING ACETAL OR KETAL COMPOUND WITH HYDROGEN IN PRESENCE OF HYDROGENATION AND SOLID ACID CATALYSTS IDEMITSU KOSAN CO., LTD. (JP) 1996-06-04 US disclosed
EP-0644175-A1 POLYVINYL ETHER COMPOUND AND LUBRICATING OIL IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-03-22 EP disclosed
US-5399631-A Polyvinyl ether compound IDEMITSU KOSAN CO., LTD. (JP) 1995-03-21 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 (2 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-20040106808-A1 Processes for preparing calanolide a and intermediates thereof CALR, CYP51A1, CYP4A11 ALDH1A1 1043/4885TSHR 3981/4885TDP1 4180/4885
US-20220411361-A1 CARBONATE CONTAINING LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS PHOSPHO1, LNPK, SGMS1 ALDH1A1 4788/4885TSHR 3052/4885TDP1 4267/4885

“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.