SCHEMBL10103166

SCHEMBL10103166

COCOc1ccc2c(c1)Oc1cc(OS(=O)(=O)C(F)(F)F)ccc1C21OC(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.64
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
USP2 O75604 2/20 0.54
ALDH1A1 P00352 1/20 0.54
FTO Q9C0B1 5/20 0.47
RECQL P46063 2/20 0.47
BLM P54132 2/20 0.47
ACE2 Q9BYF1 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMAD3 P84022 1/20 0.47
PRMT1 Q99873 1/20 0.47
GSTP1 P09211 1/20 0.43
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28503884 0.91 CYP3A4 (0.62) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL14750866 0.90 CYP3A4 (0.78) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL20436815 0.87 CYP3A4 (0.58) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL10145566 0.85 CYP3A4 (0.46) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL10103168 0.84 FTO (0.70) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL31433112 0.84 FTO (0.70) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL31432985 0.83 CYP3A4 (0.68) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL10103163 0.83 CYP3A4 (0.68) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL28545013 0.83 CYP3A4 (0.67) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL10145582 0.82 CYP3A4 (0.44) CYP3A4MAPTMEN1KMT2ALMNA

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
WO-2017027337-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-16 WO disclosed
EP-2250177-B1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES VERSITECH LTD (CN) 2014-06-18 EP disclosed
US-8148423-B2 Fluorophore compounds VERSITECH LIMITED (CN) 2012-04-03 US disclosed
US-8148423-B2 Fluorophore compounds VERSITECH LIMITED (CN) 2012-04-03 US disclosed
US-8114904-B2 Luminescence quenchers and fluorogenic probes for detection of reactive species Versitech Limited & Morningside Ventures Limited (CN) 2012-02-14 US disclosed
US-20090253118-A1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES VERSITECH LIMITED (CN) 2009-10-08 US disclosed
US-20090253143-A1 FLUOROPHORE COMPOUNDS VERSITECH LIMITED (CN) 2009-10-08 US disclosed
US-20090253143-A1 FLUOROPHORE COMPOUNDS VERSITECH LIMITED (CN) 2009-10-08 US disclosed
WO-2009121244-A1 FLUOROPHORE COMPOUNDS VERSITECH LIMITED (CN) 2009-10-08 WO disclosed
WO-2009121247-A1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES VERSITECH LIMITED (CN) 2009-10-08 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-20090253118-A1 LUMINESCENCE QUENCHERS AND FLUOROGENIC PROBES FOR DETECTION OF REACTIVE SPECIES ROS1, LPO, HMOX1 CYP3A4 508/4885MAPT 4349/4885MEN1 4478/4885
US-20090253143-A1 FLUOROPHORE COMPOUNDS FUCA1, DNA2, LRAT CYP3A4 2014/4885MAPT 1858/4885MEN1 1922/4885

“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.