SCHEMBL2114338

SCHEMBL2114338

C#CCN1CC(=O)N(COC(=O)[C@@H]2C(C=C(C)C)C2(C)C)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 3/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6058126 1.00 LMNA (1.00) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL6058124 1.00 LMNA (1.00) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL29713755 1.00 LMNA (1.00) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL25197 1.00 LMNA (1.00) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11507284 0.92 LMNA (0.85) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL12318209 0.91 LMNA (0.83) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11509999 0.91 LMNA (0.83) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11506764 0.90 LMNA (0.82) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL13198757 0.90 LMNA (0.82) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL14210576 0.90 LMNA (0.82) LMNACYP1A2CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865132-B2 Compressed gas aerosol compositions S.C. JOHNSON & SON, INC. (US) 2014-10-21 US disclosed
US-20130336900-A1 VOC-Free Compressed Gas Aerosol Compositions VALPEY III RICHARD S (US) 2013-12-19 US disclosed
US-8545815-B2 VOC-free compressed gas aerosol composition S.C. JOHNSON & SON, INC. (US) 2013-10-01 US disclosed
US-20120171127-A1 VOC-FREE COMPRESSED GAS AEROSOL COMPOSITION S.C. JOHNSON & SON, INC. (US) 2012-07-05 US disclosed
US-8158108-B2 VOC-free compressed gas aerosol compositions S.C. JOHNSON & SON, INC. (US) 2012-04-17 US disclosed
EP-2197281-B1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2011-08-31 EP disclosed
US-20100210698-A1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
US-20080003185-A1 VOC-free compressed gas aerosol compositions S. C. JOHNSON HOME STORAGE, INC. (US) 2008-01-03 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-20100210698-A1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS DDT, TET3, TET1 LMNA 2008/4885CYP1A2 1381/4885CYP2C19 941/4885

“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.