SCHEMBL701394

SCHEMBL701394

COc1cccc(OC)c1-c1c2ccccc2c(-c2c(OC)cccc2OC)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MAPT P10636 4/20 0.56
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 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
SCHEMBL19373824 0.87 MAPT (0.48) CA1CA2CA7CA9CA12
SCHEMBL28148154 0.87 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL22534454 0.81 MAPT (0.88) CA1CA2CA7CA9CA12
SCHEMBL31336201 0.81 MAPT (0.88) CA1CA2CA7CA9CA12
SCHEMBL357145 0.78 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL31116611 0.78 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL4172508 0.78 APP (0.59) CA1CA2CA7CA9CA12
SCHEMBL7796061 0.76 MAPT (0.63) CA1CA2CA7CA9CA12
SCHEMBL16673948 0.76 SMN1; SMN2 (0.48) CA1CA2CA7CA9CA12
SCHEMBL29367279 0.75 MAPT (0.61) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604698-B2 Light up-conversion material NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-03-31 US disclosed
US-10604698-B2 Light up-conversion material NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-03-31 US disclosed
US-9890326-B2 Light up-conversion luminescent substance NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2018-02-13 US disclosed
US-9890326-B2 Light up-conversion luminescent substance NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2018-02-13 US disclosed
US-20170267922-A1 LIGHT UP-CONVERSION MATERIAL NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2017-09-21 US disclosed
US-20170267922-A1 LIGHT UP-CONVERSION MATERIAL NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2017-09-21 US disclosed
EP-1859005-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-20160053168-A1 LIGHT UP-CONVERSION LUMINESCENT SUBSTANCE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-02-25 US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
EP-1859005-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2007-11-28 EP disclosed
WO-2006097208-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2006-09-21 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 (2 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR CA1 4378/4885CA2 3885/4885CA7 3866/4885
US-20160053168-A1 LIGHT UP-CONVERSION LUMINESCENT SUBSTANCE GUSB, UPP1, UGT1A1 CA1 801/4885CA2 2942/4885CA7 510/4885

“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.