SCHEMBL6405574

SCHEMBL6405574

O=C1OC2(c3ccc(OCc4ccccc4)cc3Oc3cc(OCc4ccccc4)ccc32)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.74
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
HTT P42858 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
USP2 O75604 1/20 0.62
FTO Q9C0B1 3/20 0.61
HPGD P15428 2/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMAD3 P84022 1/20 0.61
PRMT1 Q99873 1/20 0.61
ACE2 Q9BYF1 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAOB P27338 9/20 0.50
GSTP1 P09211 1/20 0.50
MAOA P21397 6/20 0.49

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
SCHEMBL16001403 0.88 CYP3A4 (0.64) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL5802852 0.87 CYP3A4 (0.63) CYP3A4MAPTMEN1HTTKMT2A
Diethoxyflourescein SCHEMBL6404797 0.85 CYP3A4 (1.00) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL15990657 0.84 CYP3A4 (0.62) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL21435705 0.83 FTO (0.56) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL6405869 0.83 CYP3A4 (0.74) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL14750866 0.83 CYP3A4 (0.78) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL5804241 0.83 FTO (0.61) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL19153208 0.82 FTO (0.75) CYP3A4MAPTMEN1HTTKMT2A
SCHEMBL2371477 0.82 FTO (0.70) CYP3A4MAPTMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP claimed
US-9745487-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES, INC. (US) 2017-08-29 US disclosed
US-9745487-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES, INC. (US) 2017-08-29 US disclosed
EP-3017010-B1 YELLOW THERMOCHROMIC DYES, INKS COMPOSITION AND LEVEL INDICATORS CHROMATIC TECH INC (US) 2017-05-17 EP disclosed
US-20160333210-A1 Yellow Thermochromic Dyes, Inks Composition And Level Indicators CHROMATIC TECHNOLOGIES, INC. (US) 2016-11-17 US disclosed
US-20160333210-A1 Yellow Thermochromic Dyes, Inks Composition And Level Indicators CHROMATIC TECHNOLOGIES, INC. (US) 2016-11-17 US disclosed
US-9399716-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES INC. (US) 2016-07-26 US disclosed
US-9399716-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES INC. (US) 2016-07-26 US disclosed
US-20140248218-A1 ROS-SENSITIVE FLUORESCENT PROBES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-04 US disclosed
US-20140248218-A1 ROS-SENSITIVE FLUORESCENT PROBES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-04 US disclosed
US-20140248218-A1 ROS-SENSITIVE FLUORESCENT PROBES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-04 US disclosed
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP 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 (1 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-20140248218-A1 ROS-SENSITIVE FLUORESCENT PROBES ROS1, NOX4, GPX4 CYP3A4 1004/4885MAPT 3190/4885MEN1 3583/4885

“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.