SCHEMBL950178

SCHEMBL950178

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 5/20 0.32
JAK2 O60674 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
PRKCA P17252 1/20 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
SCHEMBL14632365 0.87 NPC1 (0.36) LMNAALDH1A1RAB9A
SCHEMBL950046 0.87 LMNA (0.35) LMNAEPHX2ALDH1A1SMN1; SMN2MEN1
SCHEMBL952272 0.85 LMNA (0.34) LMNAEPHX2ALDH1A1SMN1; SMN2MEN1
SCHEMBL952118 0.82 EPHX2 (0.36) LMNAEPHX2ALDH1A1JAK2RAB9A
SCHEMBL950215 0.80 ALDH1A1 (0.33) LMNAEPHX2ALDH1A1MAPT
SCHEMBL950348 0.74 ALDH1A1 (0.36) LMNAALDH1A1RAB9ANPSR1THRB
SCHEMBL951969 0.73 CYP19A1 (0.44) LMNAEPHX2ALDH1A1JAK2RAB9A
SCHEMBL951691 0.73 NPC1 (0.36) LMNAALDH1A1RAB9A
SCHEMBL950305 0.72 MEN1 (0.49) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL4547708 0.70 EPHX2 (0.39) LMNAEPHX2ALDH1A1JAK2RAB9A

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 LMNA 2635/4885EPHX2 1427/4885ALDH1A1 313/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A LMNA 2635/4885EPHX2 1427/4885ALDH1A1 313/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A LMNA 2635/4885EPHX2 1427/4885ALDH1A1 313/4885

“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.