SCHEMBL8646347

SCHEMBL8646347

CCOC(=O)/C=C(\CCl)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 7/20 0.44
HCAR2 Q8TDS4 1/20 0.43
SOAT1 P35610 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL11196356 1.00 NPSR1 (0.52) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL9427312 1.00 NPSR1 (0.52) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL16068782 0.88 HCAR2 (0.44) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL17469599 0.88 NPSR1 (0.46) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL9718475 0.88 ALDH1A1 (0.41) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL17469589 0.88 NPSR1 (0.48) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL9718465 0.88 ALDH1A1 (0.41) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL9718471 0.88 ALDH1A1 (0.41) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL9777200 0.88 NPSR1 (0.48) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2
SCHEMBL9777204 0.88 NPSR1 (0.48) NPSR1ALDH1A1HCAR2SOAT1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-0573999-B1 Process for preparation of alkyltetronates LONZA AG (CH) 1998-08-26 EP disclosed
US-5310947-A Process for the production of tetronic acid alkyl esters LONZA LTD. (CH) 1994-05-10 US disclosed
EP-0346852-B1 Process for producing 4-chloro-3-alkoxybut-2E-ene acid alkyl esters LONZA AG (CH) 1994-02-23 EP disclosed
EP-0573999-A1 Process for preparation of alkyltetronates LONZA AG (CH) 1993-12-15 EP disclosed
US-4966989-A KETALIZATION AND ESTERIFICATION OF 4-CHLOROACETOACETYL CHLORIDE WITH AN ALCOHOL AND A DIALKYL SULFITE LONZA LTD. (CH) 1990-10-30 US disclosed
EP-0346852-A2 Process for producing 4-chloro-3-alkoxybut-2E-ene acid alkyl esters LONZA AG (CH) 1989-12-20 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 NPSR1 2942/4885ALDH1A1 596/4885HCAR2 1561/4885

“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.