SCHEMBL950185

SCHEMBL950185

O=C(CO)OCC(=O)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.45
NAAA Q02083 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.42
EPHX1 P07099 2/20 0.39
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 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
SCHEMBL949697 0.98 CYP2C19 (0.47) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL949611 0.98 CYP2C19 (0.47) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL949950 0.98 CYP2C19 (0.47) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL950468 0.98 CYP2C19 (0.47) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL949533 0.98 CYP2C19 (0.47) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL4677009 0.85 NAAA (0.52) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL2255784 0.83 CYP2C19 (0.55) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL5439388 0.83 CYP2C19 (0.55) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL949359 0.82 NAAA (0.43) CYP19A1NAAACYP2C19HTTEPHX1
SCHEMBL949986 0.82 NAAA (0.43) CYP19A1NAAACYP2C19HTTEPHX1

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 11 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 claimed
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-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-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-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-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
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
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
WO-2009104753-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER 出光興産株式会社 (JP) 2009-08-27 WO 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 CYP19A1 2018/4885NAAA 469/4885CYP2C19 2490/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP19A1 2018/4885NAAA 469/4885CYP2C19 2490/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP19A1 2018/4885NAAA 469/4885CYP2C19 2490/4885

“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.