SCHEMBL954452

SCHEMBL954452

O=C/C=C1\CCCc2c1cnn2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA4 P22748 7/20 0.46
CA9 Q16790 6/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL954455 1.00 CA1 (0.46) CA1CA2CA4CA9NPC1
SCHEMBL954453 1.00 CA1 (0.46) CA1CA2CA4CA9NPC1
SCHEMBL959665 0.82 CA1 (0.45) CA1CA2CA4CA9NPC1
SCHEMBL959664 0.82 CA1 (0.45) CA1CA2CA4CA9NPC1
SCHEMBL956384 0.80 CA1 (0.42) CA1CA2CA4CA9NPC1
SCHEMBL956386 0.80 CA1 (0.42) CA1CA2CA4CA9NPC1
SCHEMBL957560 0.80 USP7 (0.44) CA1CA2CA4CA9NPC1
SCHEMBL957559 0.80 USP7 (0.44) CA1CA2CA4CA9NPC1
SCHEMBL956382 0.80 CA1 (0.42) CA1CA2CA4CA9NPC1
SCHEMBL957561 0.80 USP7 (0.44) CA1CA2CA4CA9NPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877252-A2 ELASTOMERIC MATERIALS Kimberly-Clark Worldwide, Inc. (US) 2008-01-16 EP claimed
WO-2006118839-A2 ELASTOMERIC MATERIALS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2006-11-09 WO claimed
EP-1579047-A1 IMPROVED ELASTOMERIC MATERIALS Kimberly-Clark Worldwide, Inc. (US) 2005-09-28 EP claimed
WO-2004061181-A1 IMPROVED ELASTOMERIC MATERIALS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO claimed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US disclosed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP disclosed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-01-20 US disclosed
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-7829559-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-11-09 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US disclosed
EP-1781619-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 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 (2 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-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS SIGMAR1, OPRK1, OPRD1 CA1 4683/4885CA2 4750/4885CA4 4875/4885
US-20070232585-A1 Sigma Receptor Inhibitors SIGMAR1, OPRK1, OPRL1 CA1 4673/4885CA2 4680/4885CA4 4874/4885

“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.