SCHEMBL330440

SCHEMBL330440

COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
TSHR P16473 2/20 0.56
KCNMA1 Q12791 3/20 0.55
PKM P14618 1/20 0.54
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPK14 Q16539 1/20 0.49
P2RX1 P51575 1/20 0.49

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
SCHEMBL330148 0.89 TMPRSS4 (0.60) HTTTSHRKCNMA1POLBSMN1; SMN2
SCHEMBL14363385 0.88 KCNMA1 (0.68) TSHRKCNMA1POLBSMN1; SMN2HSD17B10
SCHEMBL330019 0.87 KCNMA1 (0.64) HTTTSHRKCNMA1POLBSMN1; SMN2
SCHEMBL330628 0.84 TMPRSS4 (0.52) TSHRKCNMA1HSD17B10NR1H4P2RX1
SCHEMBL14363413 0.84 MEN1 (0.62) HTTTSHRKCNMA1POLBSMN1; SMN2
SCHEMBL14363387 0.82 KCNMA1 (0.75) TSHRKCNMA1POLBSMN1; SMN2HSD17B10
SCHEMBL12368183 0.82 MEN1 (0.64) HTTTSHRPKMPOLBCYP1A2
SCHEMBL5463645 0.81 HTT (0.51) HTTTSHRKCNMA1PKMPOLB
SCHEMBL11765060 0.81 KCNMA1 (0.71) HTTKCNMA1PKMPOLBSMN1; SMN2
SCHEMBL12368205 0.80 KCNMA1 (0.61) TSHRKCNMA1POLBSMN1; SMN2HSD17B10

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 11 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
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 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 (6 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 HTT 3012/4885TSHR 3741/4885KCNMA1 3082/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3223/4885TSHR 3827/4885KCNMA1 3380/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 HTT 2860/4885TSHR 2228/4885KCNMA1 1503/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3223/4885TSHR 3827/4885KCNMA1 3380/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3223/4885TSHR 3827/4885KCNMA1 3380/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB HTT 3559/4885TSHR 4035/4885KCNMA1 2705/4885

“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.