SCHEMBL1021404

SCHEMBL1021404

CCOCCOCCOC(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.52
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
EPHX2 P34913 5/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL9333278 1.00 ALDH1A1 (0.60) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL616408 0.98
SCHEMBL33420 0.87 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL7878546 0.87 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL1063406 0.87 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL5481930 0.86 ALDH1A1 (0.50) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL8504058 0.86 ALDH1A1 (0.45) ALDH1A1TSHRTHRBEPHX2SMN1; SMN2
SCHEMBL5836410 0.86 ALDH1A1 (0.43) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL11791637 0.86 ALDH1A1 (0.43) ALDH1A1TSHRTHRBHSD17B10TP53
SCHEMBL8506799 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
EP-0710360-A1 HOMOGENEOUS IMMUNOASSAYS USING MUTANT GLUCOSE-6-PHOSPHATE DEHYDROGENASES BEHRINGWERKE Aktiengesellschaft (DE) 1996-05-08 EP disclosed
WO-1996002004-A1 IMMUNOASSAY FOR MYCOPHENOLIC ACID BEHRINGWERKE AG (DE) 1996-01-25 WO disclosed
WO-1994024559-A2 HOMOGENEOUS IMMUNOASSAYS USING MUTANT GLUCOSE-6-PHOSPHATE DEHYDROGENASES SYNTEX (U.S.A.) INC. (US) 1994-10-27 WO disclosed
US-5350839-A Esters to improve taste and remove bitterness TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
EP-0553353-A1 2'-MODIFIED ERYTHROMYCIN OR DERIVATIVE THEREOF TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-08-04 EP disclosed
US-4737488-A Immune system-stimulating N-glycosylated ureas and carbamates BAYER AKTIENGESELLSCHAFT (DE) 1988-04-12 US disclosed
US-4233401-A Antienzyme homogeneous competitive binding assay SYVA COMPANY (US) 1980-11-11 US disclosed
US-4069105-A FOR ENZYME IMMUNOASSAY AND COMPETITIVE PROTEIN BINDING ASSAY SYVA COMPANY (US) 1978-01-17 US disclosed
US-4058511-A Tegretol antigens and antibodies SYVA COMPANY (US) 1977-11-15 US disclosed
US-3998816-A 7-[5-N-(n-Butoxyethoxy carbonyl and 2-chloroethoxy carbonyl)-amino] cephalosporins C MEIJI SEIKA KAISHA, LTD. (JA) 1976-12-21 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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 ALDH1A1 1061/4885TSHR 2426/4885THRB 912/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 ALDH1A1 1823/4885TSHR 3415/4885THRB 3567/4885

“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.