SCHEMBL950609

SCHEMBL950609

C=C(C)C(=O)OCC(=O)OC(CC12CC3CC(CC(C3)C1)C2)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL951961 0.79 SMN1; SMN2 (0.36) LMNAALDH1A1SMN1; SMN2NPSR1EPHX2
SCHEMBL949744 0.78 EPHX2 (0.37) LMNAMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL1043859 0.78 SMN1; SMN2 (0.35) TSHRLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL365663 0.75 SMN1; SMN2 (0.39) TSHRALDH1A1SMN1; SMN2NPSR1EPHX2
SCHEMBL950132 0.74 ALDH1A1 (0.47) TSHRLMNAMAPTALDH1A1EPHX2
SCHEMBL950612 0.72 EPHX2 (0.34) TSHRLMNAALDH1A1EPHX2MEN1
SCHEMBL952170 0.72 MEN1 (0.49) LMNAMAPTALDH1A1EPHX2MEN1
SCHEMBL25714087 0.71 TSHR (0.53) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL21420090 0.71 CYP19A1 (0.41) TSHRLMNAMAPTALDH1A1NPSR1
SCHEMBL16591058 0.70 MEN1 (0.35) MAPTALDH1A1SMN1; SMN2NPSR1EPHX2

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 TSHR 2845/4885LMNA 2635/4885MAPT 2858/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885LMNA 2635/4885MAPT 2858/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A TSHR 2845/4885LMNA 2635/4885MAPT 2858/4885

“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.