SCHEMBL1397649

SCHEMBL1397649

COC12CC3CC(C1)C(=O)C(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.46
EPHX2 P34913 2/20 0.43
HSD11B1 P28845 2/20 0.35
NAAA Q02083 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5093329 0.83 NPSR1 (0.49) NPSR1TSHREPHX2
SCHEMBL8584936 0.80 NPSR1 (0.44) NPSR1TSHREPHX2NAAA
SCHEMBL2888682 0.80 NPSR1 (0.44) NPSR1TSHREPHX2ALDH1A1
SCHEMBL15037951 0.79 NPSR1 (0.46) NPSR1TSHREPHX2
SCHEMBL2986988 0.79 HSD11B1 (0.33) NPSR1TSHRHSD11B1ALDH1A1LMNA
SCHEMBL18845034 0.79 NPSR1 (0.46) NPSR1TSHREPHX2
SCHEMBL1397825 0.79 NPSR1 (0.47) NPSR1TSHREPHX2ALDH1A1LMNA
SCHEMBL13005842 0.78 NPSR1 (0.49) NPSR1TSHREPHX2ALDH1A1LMNA
SCHEMBL23933250 0.77 NPSR1 (0.46) NPSR1TSHREPHX2ALDH1A1LMNA
SCHEMBL231596 0.77 NPSR1 (0.56) NPSR1TSHREPHX2NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533974-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates MICHIGAN DIAGNOSTICS, LLC (US) 2017-01-03 US disclosed
US-20150031889-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL (US) 2015-01-29 US disclosed
US-8932881-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2015-01-13 US disclosed
US-8822233-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2014-09-02 US disclosed
US-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-05-01 US disclosed
US-20140088297-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-03-27 US disclosed
US-20140073771-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-03-13 US disclosed
US-8546150-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates Michigan Diagnostics, L.L.C. (US) 2013-10-01 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed
EP-1453822-A4 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2004-11-24 EP disclosed
EP-1453822-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2004-09-08 EP disclosed
WO-2003054506-A2 DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ PAL (US) 2003-07-03 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US disclosed
US-5605795-A Assays using chemiluminescent, enzymatically cleavable substituted 1,2-dioxetanes and kits therefor TROPIX, INC. (US) 1997-02-25 US disclosed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed
US-5220005-A Reactable with enzyme to release optically detectable energy TROPIX, INC. (US) 1993-06-15 US 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 (3 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-20140088297-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO NPSR1 3063/4885TSHR 1381/4885EPHX2 670/4885
US-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO NPSR1 3063/4885TSHR 1381/4885EPHX2 670/4885
US-20150031889-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO NPSR1 2918/4885TSHR 1113/4885EPHX2 703/4885

“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.