SCHEMBL5231704

SCHEMBL5231704

CSc1ccc(OCCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ RECQL P46063 1/20 0.54
▸ NR1I2 O75469 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAOB P27338 1/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HRH2 P25021 1/20 0.40

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
SCHEMBL15681788 0.94 NR1I2 (0.49) ALDH1A1RECQLNR1I2SMN1; SMN2CYP3A4
SCHEMBL10441158 0.87 MAOB (0.49) ALDH1A1MAOBAOC3GAAMAPT
SCHEMBL25729982 0.86 GAA (0.46) NR1I2MAOBAOC3GAA
SCHEMBL9808245 0.85 MAOB (0.47) ALDH1A1SMN1; SMN2MAOBAOC3GAA
SCHEMBL9808289 0.85 KCNA3 (0.48) ALDH1A1MAOBAOC3GAAMAPT
SCHEMBL890770 0.83 ALDH1A1 (0.58) ALDH1A1RECQLNR1I2SMN1; SMN2CYP3A4
SCHEMBL17324194 0.83 ALDH1A1 (0.58) ALDH1A1RECQLNR1I2SMN1; SMN2CYP3A4
SCHEMBL48239 0.82 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2SMN1; SMN2CYP3A4
SCHEMBL28106819 0.82 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2SMN1; SMN2CYP3A4
SCHEMBL8672424 0.81 MAOB (0.45) ALDH1A1RECQLSMN1; SMN2CYP3A4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230185191-A1 COMPOUND, PRODUCTION METHOD THEREFOR, ACID GENERATOR, COMPOSITION, RESIST FILM, UNDERLAYER FILM, PATTERN FORMATION METHOD, AND OPTICAL COMPONENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-06-15 — — US disclosed
US-20230185191-A1 COMPOUND, PRODUCTION METHOD THEREFOR, ACID GENERATOR, COMPOSITION, RESIST FILM, UNDERLAYER FILM, PATTERN FORMATION METHOD, AND OPTICAL COMPONENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-06-15 — — US disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 — — EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 — — EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 — — US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 — — US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 — — US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 — — EP disclosed
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 — — US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 — — EP disclosed
US-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 — — 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 (3 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-20230185191-A1 COMPOUND, PRODUCTION METHOD THEREFOR, ACID GENERATOR, COMPOSITION, RESIST FILM, UNDERLAYER FILM, PATTERN FORMATION METHOD, AND OPTICAL COMPONENT SOAT2, SOAT1, FAR1 ALDH1A1 269/4885RECQL 1346/4885NR1I2 2350/4885
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E ALDH1A1 1832/4885RECQL 3237/4885NR1I2 332/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D ALDH1A1 2538/4885RECQL 3326/4885NR1I2 402/4885

“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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