SCHEMBL1663786

SCHEMBL1663786

COc1cc(C=O)cc(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP2A6 P11509 1/20 0.58
CYP1A1 P04798 5/20 0.56
CYP1B1 Q16678 5/20 0.56
NQO2 P16083 4/20 0.46
CYP1A2 P05177 3/20 0.46
ESR1 P03372 2/20 0.46
ABL1 P00519 2/20 0.46
TTR P02766 2/20 0.46
ABCB1 P08183 2/20 0.46
ALOX5 P09917 2/20 0.46
BCR P11274 2/20 0.46
PTGS2 P35354 2/20 0.46
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
AHR P35869 1/20 0.46
TUBA1B P68363 1/20 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
SCHEMBL228003 0.95 CYP1A1 (0.64) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
Water SCHEMBL28227114 0.92 CYP1A1 (0.61) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL5883123 0.89 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
Formic Acid Methyl Ester SCHEMBL28071788 0.88 CYP1A1 (0.56) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL5883210 0.87 CYP1A1 (0.56) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL5883214 0.87 CYP1A1 (0.56) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL14536306 0.86 CYP2A6 (0.50) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL29958196 0.86 CYP1A1 (0.58) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL29951799 0.86 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL378297 0.86 CYP1A1 (0.58) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947344-B1 2,2'-(1,3-PHENYLENEDIMETHYLIDYNE)-BIS-HYDRAZINECARBOXIMIDAMIDE DERIVATIVES AS RETROMER STABILIZERS FOR THE TREATMENT OF NEUROLOGICAL DISEASES OSPEDALE SAN RAFFAELE SRL (IT) 2025-10-01 EP disclosed
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 EP disclosed
CN-114341103-B Aminoguanhydrazones as retrograde transport stabilizers useful in the treatment of neurological diseases 圣拉斐尔医院有限公司 2023-11-10 CN disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
US-20230178848-A1 ELECTRODE SEPARATORS UNIV KING ABDULLAH SCI & TECH (SA) 2023-06-08 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022163674-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2022-08-04 WO disclosed
WO-2022163684-A1 CYCLIC DIOL COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND 新日本理化株式会社 2022-08-04 WO disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-5763681-A ALPHA-2-ADAMANTYLIDENE-ALPHA-METHOXY-META-METHOXYTOLUENE AND RELATED COMPOUNDS AS INTERMEDIATES TROPIX, INC. (US) 1998-06-09 US disclosed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US disclosed
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP disclosed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP disclosed
WO-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 WO disclosed
US-4962203-A ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROST CANADA, INC. (CA) 1990-10-09 US 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 (1 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-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885CYP2A6 3857/4885CYP1A1 2442/4885

“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.