SCHEMBL1874850

SCHEMBL1874850

COc1cccc(Oc2ccc(C=O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CYP2A6 P11509 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
MTNR1B P49286 8/20 0.54
MTNR1A P48039 6/20 0.54
TTR P02766 1/20 0.53
KDM4E B2RXH2 2/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 3/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 1/20 0.48
POLB P06746 2/20 0.48

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
SCHEMBL30644968 1.00 ALDH1A1 (0.62) ALDH1A1CYP2A6SMN1; SMN2MTNR1BMTNR1A
SCHEMBL8546955 0.91 ALDH1A1 (0.55) ALDH1A1CYP2A6SMN1; SMN2TTRKDM4E
SCHEMBL17099392 0.87 NPC1 (0.58) ALDH1A1CYP2A6SMN1; SMN2TTRRELA
SCHEMBL8548889 0.87 ALDH1A1 (0.69) ALDH1A1CYP2A6SMN1; SMN2TTRKDM4E
SCHEMBL30866102 0.86 NPC1 (0.65) ALDH1A1CYP2A6SMN1; SMN2MTNR1BMTNR1A
SCHEMBL273688 0.86 NPC1 (0.65) ALDH1A1CYP2A6SMN1; SMN2MTNR1BMTNR1A
SCHEMBL3804053 0.85 ALDH1A1 (0.58) ALDH1A1CYP2A6SMN1; SMN2TTRKDM4E
SCHEMBL527049 0.85 ALDH1A1 (0.86) ALDH1A1CYP2A6SMN1; SMN2TTRKDM4E
SCHEMBL10709191 0.84 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2MTNR1BMTNR1AKDM4E
SCHEMBL6853633 0.83 SRC (0.53) ALDH1A1CYP2A6SMN1; SMN2TTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP claimed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 EP claimed
US-7759471-B2 nucleotide monomer used to make protected RNA that has similar stability to the DNA molecule AGILENT TECHNOLOGIES, INC. (US) 2010-07-20 US claimed
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
CN-110317200-B Pyrimidinium compounds and uses thereof 东莞市东阳光农药研发有限公司 2020-09-11 CN disclosed
CN-110914241-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615515-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
CN-110317200-A Pyrimidine compound and application thereof 东莞东阳光科研发有限公司 2019-10-11 CN disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
US-10246451-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-8889883-B2 BODIPY structure fluorescence dye for neural stem cell probe NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-18 US disclosed
US-8889883-B2 BODIPY structure fluorescence dye for neural stem cell probe NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-18 US disclosed
WO-2014109713-A1 FLUORESCENT CELL CYCLE PROBE HAVING M-PHASE SPECIFICITY NATIONAL UNIVERISTY OF SINGAPORE (SG) 2014-07-17 WO disclosed
US-20130244251-A1 BODIPY Structure Fluorescence Dye for Neural Stem Cell Probe AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-09-19 US disclosed
US-20130244251-A1 BODIPY Structure Fluorescence Dye for Neural Stem Cell Probe AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-09-19 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 US disclosed
WO-2009146112-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-03 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 (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-10246451-B2 Propionic acid derivatives and methods of use thereof ITGA4, ITGB3, ITGB5 ALDH1A1 232/4885CYP2A6 1051/4885SMN1; SMN2 2184/4885
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 ALDH1A1 4650/4885CYP2A6 4821/4885SMN1; SMN2 1918/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT ALDH1A1 2159/4885CYP2A6 1014/4885SMN1; SMN2 47/4885
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB4 ALDH1A1 141/4885CYP2A6 1321/4885SMN1; SMN2 1998/4885

“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.