SCHEMBL1853891

SCHEMBL1853891

COc1ccc(COCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.61
AGXT P21549 2/20 0.61
APP P05067 5/20 0.59
MAOB P27338 1/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CALM1 P0DP23 1/20 0.50
LTA4H P09960 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL20000873 0.83 APP (0.80) IDO1AGXTAPPMAOBNPC1
SCHEMBL27455063 0.80 IDO1 (0.67) IDO1AGXTAPPMAOBCA12
SCHEMBL31270 0.80 IDO1 (0.67) IDO1AGXTAPPMAOBCA12
SCHEMBL34413 0.80 IDO1 (0.67) IDO1AGXTAPPMAOBCA12
SCHEMBL9618281 0.79 APP (0.67) APPMAOBNPC1POLBRAB9A
SCHEMBL5505882 0.79 APP (0.67) IDO1AGXTAPPMAOBNPC1
SCHEMBL28784521 0.79 APP (0.67) IDO1AGXTAPPMAOBNPC1
Methoxymethane SCHEMBL28823290 0.78 IDO1 (0.64) IDO1AGXTAPPMAOBCA12
Hydrochloric Acid SCHEMBL28912134 0.78 IDO1 (0.68) IDO1AGXTAPPMAOBCA12
Bromide SCHEMBL28558295 0.78 IDO1 (0.64) IDO1AGXTAPPMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494388-B2 Compounds useful in the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-12-03 US disclosed
US-20180162885-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-06-14 US disclosed
US-9856276-B2 Compounds useful in the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-01-02 US disclosed
US-20160376294-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-29 US disclosed
US-9382262-B2 Compounds useful in the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-07-05 US disclosed
US-20150175620-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-06-25 US disclosed
US-8927597-B2 Compounds useful in the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-06 US disclosed
EP-2528914-B1 FURO[3,2-B]PYRANE DERIVATIVES USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MAN CO LTD (JP) 2014-06-11 EP disclosed
US-20130123519-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-16 US disclosed
US-8350067-B2 Compounds useful in the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-01-08 US disclosed
WO-2009005672-A1 ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES MERCK & CO., INC. (US) 2009-01-08 WO disclosed
US-7183417-B2 Simple stereocontrolled synthesis of salinosporamide A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-27 US disclosed
EP-1745048-A2 SIMPLE STEREOCONTROLLED SYNTHESIS OF SALINOSPORAMIDE A The President and Fellows of Harvard College (US) 2007-01-24 EP disclosed
WO-2005113558-A2 SIMPLE STEREOCONTROLLED SYNTHESIS OF SALINOSPORAMIDE A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 WO disclosed
US-20050228186-A1 Simple stereocontrolled synthesis of salinosporamide A PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-10-13 US disclosed
US-5371239-A Pyrrole nitrile or nitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
EP-0039157-A1 Chlorination of 4-methoxybenzoyl chloride ELI LILLY AND COMPANY (US) 1981-11-04 EP disclosed
US-4119721-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1978-10-10 US disclosed
US-4119630-A VASODILATORS, BETA-ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1978-10-10 US disclosed
US-4053605-A VASODILATORS, HYPOTENSIVES, BETA-ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1977-10-11 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 (6 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-20180162885-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS ERLIN1, ERLIN2, MAN1B1 IDO1 4806/4885AGXT 1563/4885APP 4595/4885
US-10494388-B2 Compounds useful in the synthesis of halichondrin B analogs ERLIN1, ERLIN2, MAN1B1 IDO1 4806/4885AGXT 1563/4885APP 4595/4885
US-20150175620-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS ERLIN1, ERLIN2, MAN1B1 IDO1 4806/4885AGXT 1563/4885APP 4595/4885
US-20050228186-A1 Simple stereocontrolled synthesis of salinosporamide A CYP51A1, ERG28, STS IDO1 3581/4885AGXT 1945/4885APP 4549/4885
US-20160376294-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS ERLIN1, ERLIN2, MAN1B1 IDO1 4806/4885AGXT 1563/4885APP 4595/4885
US-20130123519-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS ERLIN1, ERLIN2, MAN1B1 IDO1 4806/4885AGXT 1563/4885APP 4595/4885

“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.