SCHEMBL559995

SCHEMBL559995

COc1cc(OC)cc([Mg]Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 7/20 0.44
CYP1B1 Q16678 7/20 0.44
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP4B1 P13584 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP2A7 P20853 2/20 0.39
CYP3A7 P24462 2/20 0.39
CYP2F1 P24903 2/20 0.39
CYP2C18 P33260 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2J2 P51589 2/20 0.39
CYP4F2 P78329 2/20 0.39

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
SCHEMBL1794814 0.77 ACHE (0.50) ALDH1A1CYP3A4CA1CA2CA7
1,3,5-Trimethoxybenzene SCHEMBL28493 0.76 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
Bromide SCHEMBL1021629 0.75 ACHE (0.48) ALDH1A1CYP3A4CA1CA2CA7
SCHEMBL14763753 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
Magnesium Chloride Anhydrous SCHEMBL27723160 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL2037 0.74 CA1 (0.58) ALDH1A1CYP3A4CYP2A6CYP2C19CA1
SCHEMBL3000499 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28557531 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28416912 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28740008 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-20250042934-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2025-02-06 US disclosed
US-11945836-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2024-04-02 US disclosed
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20210017218-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS INC (US) 2021-01-21 US disclosed
EP-3719029-A1 COMPOSITIONS FOR INDUCING SEDATION Sage Therapeutics, Inc. (US) 2020-10-07 EP disclosed
US-10774108-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
EP-3224269-B1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-8237003-B2 Metathesis catalyst and process for use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-08-07 US disclosed
US-20120035053-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-09 US disclosed
CN-102186834-A New herbicides SYNGENTA LTD 2011-09-14 CN disclosed
WO-2011100022-A2 METATHESIS CATALYST AND PROCESS FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-08-18 WO disclosed
EP-2350034-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-08-03 EP disclosed
US-20110152310-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-06-23 US disclosed
US-20110112349-A1 Metathesis Catalyst and Process for Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-05-12 US disclosed
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2010046194-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-04-29 WO disclosed
WO-2009139916-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-11-19 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 (10 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-11945836-B2 Compositions and methods for treating CNS disorders GRIN2B, ADRA2B, ADRA1B ALDH1A1 578/4885CYP1A1 311/4885CYP1B1 208/4885
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B ALDH1A1 578/4885CYP1A1 311/4885CYP1B1 208/4885
US-20120035053-A1 NOVEL HERBICIDES DDT, HCAR3, HPD ALDH1A1 352/4885CYP1A1 426/4885CYP1B1 338/4885
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 ALDH1A1 2555/4885CYP1A1 2939/4885CYP1B1 2352/4885
US-20210017218-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B ALDH1A1 578/4885CYP1A1 311/4885CYP1B1 208/4885
US-10774108-B2 Compositions and methods for treating CNS disorders GRIN2B, ADRA2B, ADRA1B ALDH1A1 578/4885CYP1A1 311/4885CYP1B1 208/4885
US-20250042934-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B ALDH1A1 578/4885CYP1A1 311/4885CYP1B1 208/4885
US-20110152310-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, CDC37, HSP90B1 ALDH1A1 2205/4885CYP1A1 1528/4885CYP1B1 1130/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885CYP1A1 759/4885CYP1B1 822/4885
US-20110112349-A1 Metathesis Catalyst and Process for Use Thereof MGLL, FASN, MSMO1 ALDH1A1 1338/4885CYP1A1 85/4885CYP1B1 333/4885

“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.