SCHEMBL950612

SCHEMBL950612

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.34
ALDH1A1 P00352 4/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 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
SCHEMBL951963 0.79 KMT2A (0.38) EPHX2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1043860 0.78 MEN1 (0.38) EPHX2ALDH1A1MEN1KMT2ALMNA
SCHEMBL949746 0.78 MEN1 (0.40) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL950609 0.72 TSHR (0.34) EPHX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL21420090 0.72 CYP19A1 (0.41) EPHX2ALDH1A1THRBTSHRLMNA
SCHEMBL21122438 0.71 ALDH1A1 (0.39) EPHX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL950132 0.70 ALDH1A1 (0.47) EPHX2ALDH1A1THRBMEN1KMT2A
SCHEMBL27825953 0.70 TSHR (0.45) EPHX2ALDH1A1THRBMEN1KMT2A
SCHEMBL2735086 0.70 ALDH1A1 (0.37) EPHX2ALDH1A1THRBMEN1KMT2A
SCHEMBL951359 0.70 CYP19A1 (0.40) EPHX2ALDH1A1THRBTSHRLMNA

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 EPHX2 1427/4885ALDH1A1 313/4885THRB 3616/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A EPHX2 1427/4885ALDH1A1 313/4885THRB 3616/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A EPHX2 1427/4885ALDH1A1 313/4885THRB 3616/4885

“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.