SCHEMBL952586

SCHEMBL952586

O=C(CBr)OCC(=O)OC1CCCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
NAAA Q02083 2/20 0.45
HTT P42858 1/20 0.44
CYP19A1 P11511 3/20 0.41
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 5/20 0.38
TRPA1 O75762 1/20 0.38
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
MIF P14174 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
SCHEMBL949248 1.00 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL949655 1.00 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL952084 1.00 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL951198 1.00 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL949986 0.98 NAAA (0.43) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL4954811 0.86 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL633774 0.86 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL2431445 0.84 NAAA (0.50) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL949697 0.83 CYP2C19 (0.47) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL949611 0.83 CYP2C19 (0.47) CYP2C19NAAAHTTCYP19A1EPHX1

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 4 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-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 CYP2C19 2490/4885NAAA 469/4885HTT 805/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP2C19 2490/4885NAAA 469/4885HTT 805/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A CYP2C19 2490/4885NAAA 469/4885HTT 805/4885

“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.