SCHEMBL949988

SCHEMBL949988

CC(C)(OC(=O)COC(=O)CBr)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 2/20 0.34
EPHX2 P34913 2/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4547707 0.89 EPHX2 (0.36) ALDH1A1TRPA1EPHX2MAPK1MEN1
SCHEMBL952944 0.87 LMNA (0.35) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL952118 0.85 EPHX2 (0.36) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL12332558 0.85 EPHX2 (0.34) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL952272 0.82 LMNA (0.34) ALDH1A1TRPA1LMNAEPHX2MAPT
SCHEMBL952700 0.81 ALDH1A1 (0.34) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL106195 0.80 EPHX2 (0.33) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL2735070 0.80 ALDH1A1 (0.36) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL19214568 0.80 EPHX2 (0.33) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL25968927 0.79 EPHX2 (0.43) ALDH1A1EPHX2MAPK1MEN1KMT2A

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 ALDH1A1 313/4885TRPA1 3154/4885LMNA 2635/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885TRPA1 3154/4885LMNA 2635/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885TRPA1 3154/4885LMNA 2635/4885

“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.