SCHEMBL442093

SCHEMBL442093

CC(C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
TP53 P04637 1/20 0.59
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
LMNA P02545 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
F2 P00734 1/20 0.52
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL14770956 1.00 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL14770954 1.00 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL13625602 0.91 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL10239104 0.91 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL1786752 0.91 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL29311500 0.91 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL13700339 0.91 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL25846716 0.91 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL6228338 0.89 CA1 (0.57) TSHRTP53PDCD1CD274LMNA
SCHEMBL570331 0.88 TSHR (0.55) TSHRTP53PDCD1CD274LMNA

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-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 US disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 US disclosed
US-10143642-B2 Sunscreen molecule and compositions thereof CONOPCO, INC. (US) 2018-12-04 US disclosed
EP-3089987-B1 A NOVEL SUNSCREEN MOLECULE AND COMPOSITIONS THEREOF UNILEVER NV (NL) 2018-08-22 EP disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US disclosed
US-20150152436-A1 THERAPEUTIC USES OF GENOME EDITING WITH CRISPR/Cas SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US disclosed
US-20120065310-A1 COMPOSITION, COATED FILM FORMED OF THE COMPOSITION, LAYERED PRODUCT CONTAINING THE COATED FILM, AND ELECTRONIC DEVICE INCORPORATING THE LAYERED PRODUCT ADACHI HIROAKI (JP) 2012-03-15 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 WO disclosed
US-20100167022-A1 COMPOSITION, COATED FILM FORMED OF THE COMPOSITION, LAYERED PRODUCT CONTAINING THE COATED FILM, AND ELECTRONIC DEVICE INCORPORATING THE LAYERED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
WO-2010042228-A2 METHODS FOR PREDICTING DISEASE OUTCOME IN PATIENTS WITH COLON CANCER CORNELL UNIVERSITY (US) 2010-04-15 WO disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 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 (8 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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TSHR 4759/4885TP53 3746/4885PDCD1 2851/4885
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR TSHR 1505/4885TP53 4649/4885PDCD1 3602/4885
US-10143642-B2 Sunscreen molecule and compositions thereof SUN2, TYR, ERCC4 TSHR 4520/4885TP53 40/4885PDCD1 1607/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TP53 3746/4885PDCD1 2851/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TP53 3746/4885PDCD1 2851/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TSHR 2891/4885TP53 2774/4885PDCD1 1327/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TSHR 2891/4885TP53 2774/4885PDCD1 1327/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885TP53 3746/4885PDCD1 2851/4885

“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.