SCHEMBL4962003

SCHEMBL4962003

O=C(OC(=O)c1cccc2cc(Br)ccc12)c1cccc2cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 2/20 0.45
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
NCEH1 Q6PIU2 2/20 0.40
MMP3 P08254 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP2A6 P11509 1/20 0.39
ERN1 O75460 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL819329 0.87 L3MBTL1 (0.50) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL4959456 0.86 KMT2A (0.47) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL6297205 0.83 CDC25B (0.57) RXFP1ALDH1A1ATMSMN1; SMN2KDM4E
SCHEMBL821838 0.82 PTPN1 (0.66) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL1695131 0.81 KMT2A (0.45) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL21679499 0.81 MEN1 (0.49) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL14937023 0.81 ALDH1A1 (0.61) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL4960629 0.79 PTPN1 (0.45) KMT2AMEN1ALDH1A1HPGDPTPN1
SCHEMBL4961105 0.79 PTPN1 (0.45) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4960252 0.79 PTPN1 (0.45) KMT2AMEN1ALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 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 (5 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR KMT2A 3653/4885MEN1 2817/4885RXFP1 1951/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT KMT2A 3047/4885MEN1 1113/4885RXFP1 4861/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 KMT2A 2738/4885MEN1 3449/4885RXFP1 4515/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 KMT2A 1465/4885MEN1 3755/4885RXFP1 4006/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH KMT2A 1508/4885MEN1 3006/4885RXFP1 3537/4885

“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.