SCHEMBL1790721

SCHEMBL1790721

CCCCOc1ccc(OCCCC)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.50
PTGES O14684 3/20 0.49
ALOX5 P09917 3/20 0.49
PPARG P37231 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ERN1 O75460 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL273429 0.93 ERN1 (0.52) TUBB1PTGESALOX5PPARGGAA
SCHEMBL15728130 0.92 TUBB1 (0.61) TUBB1TDP1RAB9AKDM4EERN1
SCHEMBL5885093 0.90 TUBB1 (0.59) TUBB1RAB9AKDM4EERN1ALDH1A1
SCHEMBL27500190 0.90 KDM4E (0.58) TUBB1GAAL3MBTL1TDP1RAB9A
SCHEMBL4064858 0.88 ALDH1A1 (0.51) GAAL3MBTL1TDP1ERN1ALDH1A1
SCHEMBL17558137 0.86 TUBB1 (0.43) TUBB1
SCHEMBL17558136 0.86 TUBB1 (0.43) TUBB1
SCHEMBL8413899 0.86 ADRB2 (0.53) TDP1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9559883 0.85 KDM4E (0.54) TUBB1RAB9AKDM4EERN1ALDH1A1
SCHEMBL11317160 0.85 LMNA (0.47) GAAL3MBTL1TDP1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20120282549-A1 PHOTOSENSITIVE COMPOSITION, PHOTOSENSITIVE FILM, PHOTOSENSITIVE LAMINATE, METHOD FOR FORMING PERMANENT PATTERN, AND PRINTED BOARD FUJIFILM CORPORATION (JP) 2012-11-08 US disclosed
US-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM CORPORATION (JP) 2011-05-26 US disclosed
US-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 US disclosed
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 US disclosed
US-20040220054-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-11-04 US disclosed
EP-1473591-A1 Recording material FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 EP 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 (3 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-20110123929-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, PRODUCTION METHOD FOR THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT PPOX, CRY2, HCCS TUBB1 3230/4885PTGES 1061/4885ALOX5 513/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 TUBB1 2738/4885PTGES 1109/4885ALOX5 1170/4885
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins XIAP, BIRC5, BIRC3 TUBB1 2463/4885PTGES 3006/4885ALOX5 3857/4885

“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.