SCHEMBL331512

SCHEMBL331512

C=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
P2RX1 P51575 2/20 0.47
HTT P42858 6/20 0.45
LMNA P02545 5/20 0.45
HPGD P15428 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
ALOX12 P18054 3/20 0.45
KCNH2 Q12809 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PLA2G1B P04054 2/20 0.45
ATG4B Q9Y4P1 2/20 0.45
XBP1 P17861 1/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALOX15 P16050 4/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL27817128 0.85 KCNMA1 (0.53) CA1CA2P2RX1HTTLMNA
SCHEMBL6807438 0.78 TSHR (0.50) LMNAHPGDMEN1KMT2AMAPT
SCHEMBL9779330 0.76 CA1 (0.62) CA1CA2P2RX1HTTLMNA
SCHEMBL14364717 0.75 CA1 (0.55) CA1CA2P2RX1HTTLMNA
SCHEMBL1796583 0.75 MAPT (0.55) CA1CA2HTTLMNAMAPT
Hydrochloric Acid SCHEMBL27964006 0.73 MAPT (0.52) CA1CA2HTTLMNAMAPT
SCHEMBL10728975 0.72 MEN1 (0.46) CA1CA2HTTLMNAHPGD
SCHEMBL9926031 0.71 ALDH1A1 (0.52) HTTLMNAHPGDMEN1KMT2A
SCHEMBL6966672 0.70 CA1 (0.72) CA1CA2P2RX1HTTLMNA
SCHEMBL6465868 0.70 MAPT (0.44) CA1CA2HTTLMNAMAPT

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 CA1 3096/4885CA2 1631/4885P2RX1 1459/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA1 3116/4885CA2 1778/4885P2RX1 1538/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA1 3116/4885CA2 1778/4885P2RX1 1538/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA1 3116/4885CA2 1778/4885P2RX1 1538/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CA1 3456/4885CA2 1269/4885P2RX1 2316/4885

“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.