SCHEMBL330648

SCHEMBL330648

COc1ccc(CCC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SLC5A1 P13866 1/20 0.58
SLC5A2 P31639 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAOB P27338 1/20 0.52
F2RL1 P55085 1/20 0.51
P2RX1 P51575 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 2/20 0.48

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
SCHEMBL10830275 0.82 MEN1 (0.67) SLC5A1SLC5A2KMT2AMEN1L3MBTL1
SCHEMBL10830031 0.82 MEN1 (0.54) KMT2AMEN1L3MBTL1P2RX1MAPT
SCHEMBL10829648 0.80 CYP19A1 (0.71) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL6906879 0.80 CYP19A1 (0.58) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL4096780 0.78 NPC1 (0.71) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL656856 0.78 NPC1 (0.71) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL4656453 0.77 MEN1 (0.76) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL31511903 0.77 MEN1 (0.76) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL11804367 0.77 CA1 (0.62) KMT2AMEN1P2RX1MAPTLMNA
SCHEMBL11309440 0.77 MAPT (0.70) KMT2AMEN1L3MBTL1MAOBP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NFKB1 8/4885NFKB2 12/4885RELA 5/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NFKB1 8/4885NFKB2 12/4885RELA 5/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NFKB1 8/4885NFKB2 12/4885RELA 5/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NFKB1 8/4885NFKB2 12/4885RELA 5/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB NFKB1 6/4885NFKB2 7/4885RELA 4/4885

“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.