SCHEMBL16627110

SCHEMBL16627110

CC(=O)OCOC(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
TRPV1 Q8NER1 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ESR1 P03372 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ESR2 Q92731 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
LMNA P02545 3/20 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
SCHEMBL1688854 0.92 TDP1 (0.61) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL16020464 0.86 ALDH1A1 (0.50) TDP1RAB9AALDH1A1MAPTGAA
SCHEMBL17896517 0.86 TDP1 (0.55) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL9768509 0.85 ESR1 (0.63) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL394866 0.83 TDP1 (0.52) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL31065663 0.83 ESR1 (0.43) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL513612 0.82 TDP1 (0.61) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL2652364 0.82 LMNA (0.58) TDP1RAB9AALDH1A1NPC1GAA
SCHEMBL9464103 0.82 ADRB2 (0.50) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL20127259 0.81 CA1 (0.58) TDP1RAB9AALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190382422-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-12-19 US disclosed
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-08-13 US disclosed
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-9650399-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-05-16 US disclosed
US-9650399-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-05-16 US disclosed
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-08-18 US disclosed
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-08-18 US disclosed
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2015-06-11 US disclosed
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2015-06-11 US disclosed
WO-2015048912-A1 MRI CONTRAST AGENTS FOR CELL LABELING THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-04-09 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 (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-20190382422-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 TDP1 2922/4885RAB9A 3373/4885ALDH1A1 722/4885
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 TDP1 2922/4885RAB9A 3373/4885ALDH1A1 722/4885
US-20160235866-A1 MRI CONTRAST AGENTS FOR CELL LABELING MPI, HMBS, TSPO TDP1 1598/4885RAB9A 1054/4885ALDH1A1 1750/4885
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof STAT3, STAT5A, STAT6 TDP1 2922/4885RAB9A 3373/4885ALDH1A1 722/4885
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, JAK2 TDP1 2863/4885RAB9A 2792/4885ALDH1A1 836/4885

“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.