SCHEMBL16614334

SCHEMBL16614334

COC(=O)C[C@H]1C=CC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.44
NFKB2 Q00653 6/20 0.44
RELA Q04206 6/20 0.44
BRD4 O60885 1/20 0.42
MIF P14174 4/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
NLRP3 Q96P20 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16599713 0.79 NFKB1 (0.39) NFKB1NFKB2RELANLRP3
SCHEMBL16614389 0.79 NFKB1 (0.41) NFKB1NFKB2RELAGAANLRP3
SCHEMBL2663976 0.77 ITGB1 (0.41) NFKB1NFKB2RELANLRP3
SCHEMBL18187850 0.77 NFKB1 (0.40) NFKB1NFKB2RELANLRP3
SCHEMBL16614295 0.77 NFKB1 (0.40) NFKB1NFKB2RELANLRP3
SCHEMBL20748348 0.76 BRD4 (0.35) BRD4MIFHDAC6GAAKMT2A
SCHEMBL18194639 0.75 NFKB1 (0.41) NFKB1NFKB2RELANLRP3
SCHEMBL17189143 0.73 NLRP3 (0.57) NFKB1NFKB2RELALMNANLRP3
SCHEMBL13740156 0.72 BRD4 (0.34) BRD4MIFHDAC6GAALMNA
SCHEMBL20809859 0.71 BRD4 (0.33) BRD4MIFHDAC6GAAKMT2A

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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 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 (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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 NFKB1 1106/4885NFKB2 787/4885RELA 2361/4885

“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.