SCHEMBL952272

SCHEMBL952272

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TRPA1 O75762 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL951691 0.87 NPC1 (0.36) LMNAALDH1A1
SCHEMBL950046 0.87 LMNA (0.35) LMNAALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL950178 0.85 LMNA (0.34) LMNAALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL949988 0.82 ALDH1A1 (0.34) LMNAALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL950215 0.80 ALDH1A1 (0.33) LMNAALDH1A1MAPTEPHX2
SCHEMBL950348 0.74 ALDH1A1 (0.36) LMNAALDH1A1NPSR1THRB
SCHEMBL952296 0.73 CYP19A1 (0.44) LMNAALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL14632365 0.73 NPC1 (0.36) LMNAALDH1A1
SCHEMBL949249 0.72 ALDH1A1 (0.47) LMNAALDH1A1MAPTPOLBEPHX2
SCHEMBL952274 0.71 CYP2C19 (0.33) ALDH1A1TRPA1

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 2635/4885ALDH1A1 313/4885MAPT 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 LMNA 2635/4885ALDH1A1 313/4885MAPT 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 LMNA 2635/4885ALDH1A1 313/4885MAPT 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.