SCHEMBL13005802

SCHEMBL13005802

Cc1cc(C(=O)Oc2ccc(Cl)cc2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
KMT2A Q03164 6/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 5/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
MCL1 Q07820 1/20 0.46
ELANE P08246 1/20 0.46
SRD5A1 P18405 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13005791 0.87 MAPT (0.55) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL11136239 0.81 HTT (0.54) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL17355741 0.81 KMT2A (0.57) KMT2AMEN1SMN1; SMN2MAPTCYP2C9
SCHEMBL11140786 0.81 HTT (0.56) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL610755 0.80 KMT2A (0.69) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10599787 0.80 KMT2A (0.69) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9683516 0.80 KMT2A (0.69) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28003430 0.80 KMT2A (0.69) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL15505393 0.80 HTT (0.52) HTTKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL532803 0.80 KMT2A (0.64) HTTKMT2AMEN1SMN1; SMN2MAPT

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 7 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-8546150-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates Michigan Diagnostics, L.L.C. (US) 2013-10-01 US disclosed
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 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-7781229-B2 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. MICHIGAN DIAGNOSTICS, LLC (US) 2010-08-24 US disclosed
US-20070225498-A1 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. MICHIGAN DIAGNOSTICS, LLC 2007-09-27 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-20100317877-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO HTT 1356/4885KMT2A 3237/4885MEN1 3432/4885
US-20070225498-A1 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. BTD, DDT, LPO HTT 536/4885KMT2A 3902/4885MEN1 3698/4885
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO HTT 1544/4885KMT2A 3313/4885MEN1 3284/4885
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, LPO HTT 1703/4885KMT2A 3584/4885MEN1 3737/4885

“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.