SCHEMBL949208

SCHEMBL949208

O=C(CO)OCC(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.41
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.33
FKBP1A P62942 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL949013 0.84 HSD11B1 (0.40) HSD11B1EPHX1EPHX2FKBP1ATDP1
SCHEMBL950562 0.84 HSD11B1 (0.44) HSD11B1EPHX1EPHX2
SCHEMBL14665407 0.80
SCHEMBL951817 0.80
SCHEMBL12705272 0.79 HSD11B1 (0.39) HSD11B1EPHX1EPHX2
SCHEMBL20086259 0.78 TSHR (0.39) HSD11B1EPHX1EPHX2
SCHEMBL16435703 0.78 HSD11B1 (0.43) HSD11B1EPHX1EPHX2FKBP1AL3MBTL1
SCHEMBL951735 0.78 ALDH1A1 (0.37) HSD11B1EPHX1
SCHEMBL12285341 0.77
SCHEMBL11948913 0.76 HSD11B1 (0.37) HSD11B1EPHX1EPHX2FKBP1AL3MBTL1

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 HSD11B1 4099/4885EPHX1 2574/4885EPHX2 1427/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A HSD11B1 4099/4885EPHX1 2574/4885EPHX2 1427/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A HSD11B1 4099/4885EPHX1 2574/4885EPHX2 1427/4885

“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.