SCHEMBL951963

SCHEMBL951963

CCOC(OC(=O)CO)C(OCC)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 9/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PRKCA P17252 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1043860 0.87 MEN1 (0.38) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL949746 0.87 MEN1 (0.40) KMT2AMEN1EPHX2ALDH1A1
SCHEMBL950612 0.79 EPHX2 (0.34) KMT2AMEN1EPHX2ALDH1A1LMNA
SCHEMBL9863509 0.72 LMNA (0.42) KMT2AMEN1EPHX2ALDH1A1LMNA
SCHEMBL27521123 0.69 ALDH1A1 (0.41) KMT2AMEN1EPHX2ALDH1A1NPC1
Bicarbonate SCHEMBL7741079 0.69 KMT2A (0.43) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL3821829 0.69 LMNA (0.42) EPHX2ALDH1A1LMNA
SCHEMBL26450802 0.68 ALDH1A1 (0.40) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL14306347 0.67 SLC22A2 (0.43) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL951961 0.66 SMN1; SMN2 (0.36) KMT2AMEN1EPHX2ALDH1A1LMNA

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 KMT2A 139/4885MEN1 2251/4885EPHX2 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 KMT2A 139/4885MEN1 2251/4885EPHX2 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 KMT2A 139/4885MEN1 2251/4885EPHX2 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.