SCHEMBL597374

SCHEMBL597374

O=C(O)c1ccccc1C(=O)c1cc(Cl)c(O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HSP90AA1 P07900 3/20 0.51
POLB P06746 2/20 0.50
NR4A1 P22736 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 1/20 0.48
ALOX15 P16050 1/20 0.48
CDC25B P30305 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CDC25A P30304 1/20 0.47

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
SCHEMBL22939100 0.85 ALDH1A1 (0.71) ALDH1A1POLBNR4A1KMT2AMEN1
SCHEMBL22939099 0.85 ALDH1A1 (0.71) ALDH1A1POLBNR4A1KMT2AMEN1
SCHEMBL5328376 0.85 ALDH1A1 (0.77) ALDH1A1POLBNR4A1KMT2AMEN1
SCHEMBL8649520 0.82 KMT2A (0.58) ALDH1A1HSP90AA1KMT2AMEN1L3MBTL1
SCHEMBL2674156 0.82 CDC25A (0.47) ALDH1A1HSP90AA1POLBNR4A1SMN1; SMN2
SCHEMBL2673025 0.82 KDM4E (0.54) ALDH1A1HSP90AA1POLBNR4A1SMN1; SMN2
SCHEMBL31336107 0.81 CA1 (0.54) ALDH1A1HSP90AA1KMT2AMEN1SMN1; SMN2
SCHEMBL383516 0.81 CA1 (0.54) ALDH1A1HSP90AA1KMT2AMEN1SMN1; SMN2
SCHEMBL22939024 0.79 ALDH1A1 (0.63) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL9450719 0.79 CA1 (0.70) ALDH1A1NR4A1KMT2AMEN1SMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical THE UNIVERSITY OF HONG KONG (HK) 2020-06-16 US disclosed
EP-3431480-A1 DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE The University Of Hong Kong (CN) 2019-01-23 EP disclosed
US-9651528-B2 Diarylamine-based fluorogenic probes for detection of peroxynitrite THE UNIVERSITY OF HONG KONG (CN) 2017-05-16 US disclosed
US-9651528-B2 Diarylamine-based fluorogenic probes for detection of peroxynitrite THE UNIVERSITY OF HONG KONG (CN) 2017-05-16 US disclosed
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL VERSITECH LIMITED (HK) 2016-10-27 US disclosed
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL VERSITECH LIMITED (HK) 2016-10-27 US disclosed
WO-2013113279-A1 DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE THE UNIVERSITY OF HONG KONG (CN) 2013-08-08 WO disclosed
US-20130196362-A1 DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE THE UNIVERSITY OF HONG KONG (CN) 2013-08-01 US disclosed
US-20130196362-A1 DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE THE UNIVERSITY OF HONG KONG (CN) 2013-08-01 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-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
US-7160732-B2 Fluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-09 US disclosed
US-7160732-B2 Fluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-09 US disclosed
US-7018840-B2 Ligand for in the detection of toxic metals in mammals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-03-28 US disclosed
US-20040224420-A1 Sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-11 US disclosed
US-20030068275-A1 Coordination complexes for detecting analytes, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-04-10 US disclosed
US-20030008405-A1 Fluorescent metal sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
US-20020106697-A1 Fluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTIUTE OF TECHOLOGY 2002-08-08 US disclosed
WO-2002004562-A2 FLUORESCEIN-BASED METAL SENSORS, AND METHODS OF MAKING AND USING THE SAME MASSACHUSSETS INSTITUTE OF TECHNOLOGY (US) 2002-01-17 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 (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-20030068275-A1 Coordination complexes for detecting analytes, and methods of making and using the same SPR, CACYBP, CA13 ALDH1A1 2403/4885HSP90AA1 4697/4885POLB 535/4885
US-20020106697-A1 Fluorescein-based metal sensors, and methods of making and using the same SLC30A5, SLC30A6, SLC39A14 ALDH1A1 1255/4885HSP90AA1 3758/4885POLB 4448/4885
US-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL HAGH, HADH, FECH ALDH1A1 334/4885HSP90AA1 1499/4885POLB 2612/4885
US-10684294-B2 Diarylether-based fluorogenic probes for detection of hypochlorous acid or hydroxyl radical HAGH, HADH, FECH ALDH1A1 334/4885HSP90AA1 1499/4885POLB 2612/4885

“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.