SCHEMBL684396

SCHEMBL684396

COc1cc(O)cc(C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.59
PTGS2 P35354 5/20 0.59
CYP3A4 P08684 2/20 0.56
MAPT P10636 2/20 0.56
EGFR P00533 1/20 0.49
MAOB P27338 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.42

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
SCHEMBL70379 0.85 ALOX5 (0.70) ALOX5PTGS2CYP3A4MAPTMAOB
Ethane SCHEMBL27660205 0.82 ALOX5 (0.67) ALOX5PTGS2CYP3A4MAPTMAOB
SCHEMBL678214 0.81 ERN1 (0.57) ALOX5PTGS2MAPTEGFRCA12
SCHEMBL683246 0.81 CYP3A4 (0.56) ALOX5PTGS2CYP3A4MAPTMAOB
SCHEMBL67495 0.80 PTGS2 (0.64) ALOX5PTGS2CYP3A4MAPTEGFR
SCHEMBL11581623 0.79 ABL1 (0.52) ALOX5PTGS2CYP3A4EGFRCA12
SCHEMBL17265618 0.79 CYP3A4 (0.74) ALOX5PTGS2CYP3A4MAPTMAOB
SCHEMBL29421987 0.79 CYP3A4 (0.74) ALOX5PTGS2CYP3A4MAPTMAOB
SCHEMBL24161883 0.78 PTGS2 (0.61) ALOX5PTGS2CYP3A4MAPTMAOB
SCHEMBL7289424 0.77 CYP3A4 (0.62) ALOX5PTGS2CYP3A4MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11831017-B2 Redox flow battery electrolytes CMBLU ENERGY AG (DE) 2023-11-28 US disclosed
US-11788228-B2 Methods for processing lignocellulosic material CMBLU ENERGY AG (DE) 2023-10-17 US disclosed
US-11773537-B2 Sulfonated lignin-derived compounds and uses thereof CMBLU ENERGY AG (DE) 2023-10-03 US disclosed
US-20230304221-A1 Sulfonated Lignin-Derived Compounds And Uses Thereof CMBLU ENERGY AG (DE) 2023-09-28 US disclosed
US-20230160143-A9 Sulfonated Lignin-Derived Compounds and uses Thereof CMBLU PROJEKT AG (DE) 2023-05-25 US disclosed
US-20230130406-A1 Redox Flow Battery Electrolytes CMBLU PROJEKT AG (DE) 2023-04-27 US disclosed
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 US disclosed
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 US disclosed
EP-0065720-B1 PROCESS FOR PREPARING HYDROXYPHENYL AMINE DERIVATIVES CASSELLA Aktiengesellschaft (DE) 1985-01-09 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 (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-20230160143-A9 Sulfonated Lignin-Derived Compounds and uses Thereof SQOR, NQO1, NOX4 ALOX5 540/4885PTGS2 2608/4885CYP3A4 481/4885
US-11788228-B2 Methods for processing lignocellulosic material DCXR, LCT, AGL ALOX5 338/4885PTGS2 1885/4885CYP3A4 794/4885
US-11773537-B2 Sulfonated lignin-derived compounds and uses thereof SQOR, NQO1, NOX4 ALOX5 540/4885PTGS2 2608/4885CYP3A4 481/4885
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 ALOX5 467/4885PTGS2 1789/4885CYP3A4 4098/4885
US-20230130406-A1 Redox Flow Battery Electrolytes GPX1, GPX4, NOX4 ALOX5 1369/4885PTGS2 1798/4885CYP3A4 368/4885
US-11831017-B2 Redox flow battery electrolytes GPX1, GPX4, NOX4 ALOX5 1369/4885PTGS2 1798/4885CYP3A4 368/4885
US-20230304221-A1 Sulfonated Lignin-Derived Compounds And Uses Thereof SQOR, NQO1, NOX4 ALOX5 540/4885PTGS2 2608/4885CYP3A4 481/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 ALOX5 467/4885PTGS2 1789/4885CYP3A4 4098/4885

“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.