SCHEMBL951846

SCHEMBL951846

CCC(=O)OC(=O)C(C)I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 6/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
TRPA1 O75762 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL950803 0.83 SMN1; SMN2 (0.30)
SCHEMBL951844 0.81 SMN1; SMN2 (0.32) ALDH1A1SOAT1
SCHEMBL386957 0.79 NAAA (0.39) NAAAALDH1A1MGAMGAASI
SCHEMBL288874 0.77 NAAA (0.38) NAAAALDH1A1MGAMGAASI
SCHEMBL24342137 0.76 CHRNB2 (0.35) NAAAALDH1A1MGAMGAASI
SCHEMBL10700496 0.75 NAAA (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL952341 0.75 ALDH1A1 (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL11792511 0.75 NAAA (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL7707533 0.75 NAAA (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL775327 0.75 NAAA (0.37) NAAAALDH1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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 (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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A NAAA 469/4885ALDH1A1 313/4885MGAM 1496/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A NAAA 469/4885ALDH1A1 313/4885MGAM 1496/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A NAAA 469/4885ALDH1A1 313/4885MGAM 1496/4885

“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.