SCHEMBL3763835

SCHEMBL3763835

[2H]C([2H])([2H])OC(=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
FOXM1 Q08050 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
MGLL Q99685 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCN9A Q15858 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
SCHEMBL10199696 0.91 ESR1 (0.38) ESR1MAPTNPSR1SLC6A4SLC6A3
SCHEMBL13005844 0.82 NPSR1 (0.32) MAPTNPSR1ALDH1A1SCN9A
SCHEMBL3771592 0.81 TSHR (0.35) ESR1MAPTNPSR1SLC6A4SLC6A3
SCHEMBL13005873 0.80 STS (0.33) ESR1MAPTNPSR1SLC6A4SLC6A3
SCHEMBL13892546 0.77 ALDH1A1 (0.36) ESR1FOXM1ALDH1A1CYP3A4MGLL
SCHEMBL13005853 0.77 ACHE (0.41)
SCHEMBL13010983 0.77 ACHE (0.41)
SCHEMBL13005848 0.77 ACHE (0.41)
SCHEMBL2626926 0.76 MAPT (0.38) MAPTNPSR1SLC6A4SLC6A3ALDH1A1
SCHEMBL10199844 0.76 PKM (0.39) ESR1MAPTNPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8546150-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates Michigan Diagnostics, L.L.C. (US) 2013-10-01 US disclosed
US-20100317877-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 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 (4 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-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO ESR1 896/4885MAPT 3400/4885NPSR1 3063/4885
US-20100317877-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO ESR1 822/4885MAPT 3336/4885NPSR1 2916/4885
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO ESR1 809/4885MAPT 3382/4885NPSR1 2648/4885
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, LPO ESR1 1002/4885MAPT 3534/4885NPSR1 3382/4885

“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.