SCHEMBL7197213

SCHEMBL7197213

COC(=O)[C@@H]1C2C=CC(C2)[C@@H]1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL30363373 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL5732376 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL18461270 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL147771 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL14827588 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL28062749 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL31042709 0.94 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL1286040 0.92 POLB (0.56) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL392898 0.92 POLB (0.56) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL960068 0.92 POLB (0.56) ALDH1A1SMN1; SMN2POLBHTTKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001021670-A1 PALLADIUM (II) CATALYZED POLYMERIZATION OF NORBORNENE AND ACRYLATES THE PENN STATE RESEARCH FOUNDATION (US) 2001-03-29 WO claimed
US-6111041-A CONTACTING ACRYLATE AND/OR NORBORNENE MONOMER REACTANT UNDER POLYMERIZATION CONDITIONS AND IN THE PRESENCE OF A SOLVENT WITH A CATALYST SYSTEM CONSISTING ESSENTIALLY OF A PD(II) DIMER COMPONENT THE PENN STATE RESEARCH FOUNDATION (US) 2000-08-29 US claimed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-6593440-B2 Hardness and adhesive properties, high-temperature stability PENN STATE RESEARCH FOUNDATION 2003-07-15 US disclosed
US-20020040115-A1 Palladium (II) catalyzed polymerization of norbornene and acrylates PENN STATE RESEARCH FOUNDATION, THE 2002-04-04 US disclosed
US-6300440-B1 PALLADIUM DIMER CONTAINING NITROGEN OR PHOSPHORUS LIGAND THE PENN STATE RESEARCH FOUNDATION 2001-10-09 US disclosed
US-6111041-A CONTACTING ACRYLATE AND/OR NORBORNENE MONOMER REACTANT UNDER POLYMERIZATION CONDITIONS AND IN THE PRESENCE OF A SOLVENT WITH A CATALYST SYSTEM CONSISTING ESSENTIALLY OF A PD(II) DIMER COMPONENT THE PENN STATE RESEARCH FOUNDATION (US) 2000-08-29 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 (1 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 ALDH1A1 4017/4885SMN1; SMN2 3232/4885POLB 491/4885

“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.