SCHEMBL903333

SCHEMBL903333

COc1ccccc1P(CC[P@](c1ccccc1)c1ccccc1OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL29367537 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL29396701 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL30517362 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL29359151 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL31593 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL30007746 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL1231880 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL10290527 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL29930052 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL42030 1.00 CA1 (0.44) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2018-04-05 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
EP-2531486-B1 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-06-21 EP disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-8729306-B2 Process for the preparation of nitrogen substituted aminotetralins derivatives UCB PHARMA GMBH (DE) 2014-05-20 US disclosed
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA, S.A. (BE) 2012-11-29 US disclosed
WO-2012041986-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA GMBH (DE) 2012-04-05 WO disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
US-7994335-B2 Electronically tuned ligands for asymmetric hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-09 US disclosed
EP-1477478-B1 2-oxo-1-pyrrolidine derivatives, process for preparing them and their uses. UCB FARCHIM S A AG LTD (CH) 2010-11-17 EP disclosed
US-6706926-B1 ENANTIOSELECTIVE HYDROGENATION CATALYSTS ISIS INNOVATION LIMITED (GB) 2004-03-16 US disclosed
EP-1124833-B1 DIPHOSPHINES ISIS INNOVATION (GB) 2003-01-08 EP disclosed
EP-1124833-A1 DIPHOSPHINES ISIS INNOVATION LIMITED (GB) 2001-08-22 EP disclosed
WO-2000026220-A1 DIPHOSPHINES ISIS INNOVATION LIMITED (GB) 2000-05-11 WO disclosed
US-4665087-A ANGIOTENSIN-CONVERTING ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1987-05-12 US disclosed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4390700-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1983-06-28 US disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 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 (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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY CA1 1158/4885CA2 1771/4885CA7 619/4885
US-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 CA1 483/4885CA2 114/4885CA7 199/4885
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AADAT, AANAT, ASNS CA1 2554/4885CA2 2331/4885CA7 1537/4885
US-20180093943-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV CTRC, HAVCR2, HGFAC CA1 4407/4885CA2 4781/4885CA7 4560/4885

“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.