SCHEMBL329943

SCHEMBL329943

COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(Cl)ccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.55
ALDH1A1 P00352 3/20 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
POLB P06746 2/20 0.51
METAP2 P50579 1/20 0.51
PKM P14618 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
PPARG P37231 2/20 0.49
MAPT P10636 1/20 0.49
PPARA Q07869 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
SERPINE1 P05121 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL330019 0.86 KCNMA1 (0.64) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL330156 0.81 NR1H4 (0.60) KCNMA1ALDH1A1POLBNR1H4MEN1
SCHEMBL330635 0.80 TRPV1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL330053 0.79 TMPRSS4 (0.68) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL18341136 0.77 TMPRSS4 (0.53) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1705465 0.76 TMPRSS4 (0.74) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13947606 0.76 HTT (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2180840 0.75 MEN1 (0.73) KCNMA1ALDH1A1POLBNR1H4TSHR
SCHEMBL23931090 0.75 CYP1A2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14113119 0.74 TMPRSS4 (0.60) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2C9

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 KCNMA1 3082/4885ALDH1A1 479/4885CYP1A2 1547/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885ALDH1A1 563/4885CYP1A2 1583/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885ALDH1A1 563/4885CYP1A2 1583/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885ALDH1A1 563/4885CYP1A2 1583/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB KCNMA1 2705/4885ALDH1A1 1025/4885CYP1A2 1483/4885

“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.