SCHEMBL10001196

SCHEMBL10001196

CCCCC(CC)C(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.61
MAPK1 P28482 2/20 0.61
CA1 P00915 5/20 0.59
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL18543797 0.93 CA2 (0.54) CA2MAPK1CA1MAPTSLC1A2
SCHEMBL23876022 0.84 CA2 (0.48) CA2MAPK1CA1MEN1ALDH1A1
SCHEMBL13246773 0.84 CA2 (0.59) CA2MAPK1CA1MAPTSLC1A2
SCHEMBL14519715 0.83 CA2 (0.42) CA2MAPK1CA1MEN1KMT2A
SCHEMBL3126514 0.83 CA2 (0.57) CA2MAPK1CA1MEN1ALDH1A1
SCHEMBL25834794 0.82 CA2 (0.55) CA2MAPK1MAPTSLC1A2SLC1A1
SCHEMBL19245747 0.82 CA2 (0.55) CA2MAPK1MAPTSLC1A2SLC1A1
SCHEMBL26304628 0.82 CA2 (0.55) CA2MAPK1MAPTSLC1A2SLC1A1
SCHEMBL19388762 0.82 CA2 (0.55) CA2MAPK1MAPTSLC1A2SLC1A1
SCHEMBL1709348 0.81 CPB2 (0.46) CA2MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 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 (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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C CA2 1310/4885MAPK1 454/4885CA1 972/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CA2 2549/4885MAPK1 3176/4885CA1 2891/4885

“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.