SCHEMBL951961

SCHEMBL951961

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
EPHX2 P34913 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 2/20 0.33
BPTF Q12830 1/20 0.33
MEN1 O00255 2/20 0.33
HSD11B1 P28845 1/20 0.33
PRKCA P17252 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1043859 0.87 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL949744 0.87 EPHX2 (0.37) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL950609 0.79 TSHR (0.34) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL16591058 0.78 MEN1 (0.35) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL17471368 0.70 ALDH1A1 (0.40) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL27102026 0.69 LMNA (0.54) SMN1; SMN2EPHX2ALDH1A1NPSR1LMNA
SCHEMBL112621 0.67 ALDH1A1 (0.44) SMN1; SMN2KMT2AALDH1A1NPSR1LMNA
SCHEMBL951963 0.66 KMT2A (0.38) SMN1; SMN2KMT2AEPHX2ALDH1A1LMNA
SCHEMBL5613623 0.65 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1
SCHEMBL22580151 0.65 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AEPHX2ALDH1A1NPSR1

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 SMN1; SMN2 2540/4885KMT2A 139/4885EPHX2 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 SMN1; SMN2 2540/4885KMT2A 139/4885EPHX2 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 SMN1; SMN2 2540/4885KMT2A 139/4885EPHX2 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.