SCHEMBL5237640

SCHEMBL5237640

Bc1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.54
▸ CA12 O43570 3/20 0.54
▸ CA1 P00915 3/20 0.54
▸ CA7 P43166 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ CA14 Q9ULX7 3/20 0.54
▸ ACHE P22303 1/20 0.54
▸ TSHR P16473 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CA4 P22748 2/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ TPMT P51580 1/20 0.45

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
Water SCHEMBL27700275 0.97 CA2 (0.52) CA2CA12CA1CA7CA9
SCHEMBL15178369 0.83 PDE4A (0.50) TSHRALDH1A1MAPK1PDE4AKDM4E
SCHEMBL8232426 0.82 ACHE (0.46) CA2CA12CA1CA7CA9
SCHEMBL14029293 0.80 ACHE (0.39) CA2CA12CA1CA7CA9
SCHEMBL15171109 0.80 TTR (0.58) CA2CA12CA1CA7CA9
SCHEMBL12998849 0.78 GAA (0.43) TSHRALDH1A1POLBCYP2C9CYP2C19
SCHEMBL25648956 0.78 ALDH1A1 (0.61) TSHRALDH1A1POLBCYP3A4
SCHEMBL8080493 0.78 AMY1A (0.40) ALDH1A1MAPK1
SCHEMBL10212793 0.78 RAB9A (0.50) ALDH1A1MAPK1TUBB1
SCHEMBL1809851 0.78 GAA (0.43) ACHEALDH1A1POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 — — US disclosed
US-10556912-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2020-02-11 — — US disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 — — US disclosed
EP-2809322-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-05-15 — — EP disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018129405-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2018-07-12 — — WO disclosed
EP-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 — — EP disclosed
EP-2760969-B1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MAT INC (CA) 2018-05-16 — — EP disclosed
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 — — WO disclosed
CN-107454900-A Novel imidazo [1,2-A ] quinoxalines and derivatives thereof for the treatment of cancer 蒙彼利埃大学 2017-12-08 — — CN disclosed
WO-2013119916-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-15 — — WO disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 — — WO disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 — — US disclosed
US-7851501-B2 Aromatic nitrocatechol compounds and their use for modulating processes mediated by cell adhesion molecules REVOTAR BIOPHARMACEUTICALS AG (DE) 2010-12-14 — — US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 — — US disclosed
US-20090105280-A1 Novel Aromatic Nitro Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-04-23 — — US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 — — EP disclosed
EP-1772452-A2 Matrix metalloproteinase inhibitors and uses thereof Bristol-Myers Squibb Pharma Company (US) 2007-04-11 — — 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 (6 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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B CA2 2257/4885CA12 2307/4885CA1 2920/4885
US-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B CA2 2257/4885CA12 2307/4885CA1 2920/4885
US-20090105280-A1 Novel Aromatic Nitro Compounds SELP, SELE, SELL CA2 4231/4885CA12 4570/4885CA1 4799/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B CA2 2257/4885CA12 2307/4885CA1 2920/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885CA12 1801/4885CA1 908/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA2 1331/4885CA12 1801/4885CA1 908/4885

“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.

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