SCHEMBL19420218

SCHEMBL19420218

Cc1cc(C)c([C@@H](C)O)cc1[C@H](C)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
PDE2A O00408 1/20 0.33
TRPA1 O75762 2/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
UGT2B7 P16662 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
SCHEMBL9861989 0.85 LMNA (0.47) LMNATRPA1PTGS1CACNA1CCHRM1
SCHEMBL13264008 0.83 PDE2A (0.32) PDE2A
SCHEMBL8282804 0.83 PDE2A (0.32) PDE2A
SCHEMBL24800843 0.79 PDE2A (0.33) PDE2A
SCHEMBL24787748 0.79 GAA (0.44) ADRA1A
SCHEMBL19667845 0.79 GABRA1 (0.35) LMNAPDE2ATRPA1PTGS1CACNA1C
SCHEMBL19420221 0.78 SMN1; SMN2 (0.38)
SCHEMBL19113584 0.75
SCHEMBL9894983 0.74 GAA (0.43)
SCHEMBL14044066 0.74 LMNA (0.47) LMNAPDE2ATRPA1CHRM1SLC6A2

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-10906033-B2 Synthesis and application of chiral substituted polyvinylpyrrolidinones KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-02-02 US disclosed
US-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2020-10-01 US disclosed
WO-2017172763-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2017-10-05 WO 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 (2 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-20200306737-A1 SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES POLRMT, CNBP, DHPS LMNA 2572/4885PDE2A 3848/4885TRPA1 3451/4885
US-10906033-B2 Synthesis and application of chiral substituted polyvinylpyrrolidinones POLRMT, CNBP, DHPS LMNA 2572/4885PDE2A 3848/4885TRPA1 3451/4885

“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.