SCHEMBL229498

SCHEMBL229498

O=C(O)C1COc2ccccc2O1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NISCH Q9Y2I1 1/20 0.61
HTT P42858 3/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 3/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL566636 1.00 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHHTT
SCHEMBL29437007 1.00 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHHTT
SCHEMBL1300333 1.00 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHHTT
Hydrochloric Acid SCHEMBL7526056 0.98 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHHTT
Hydrochloric Acid SCHEMBL7528728 0.98 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHHTT
Hydrochloric Acid SCHEMBL3885955 0.98 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NISCHHTT
SCHEMBL29615516 0.95 HPGD (0.56) HPGDALDH1A1SMN1; SMN2NISCHHTT
SCHEMBL3568567 0.86 HPGD (0.63) HPGDALDH1A1SMN1; SMN2NISCHHTT
SCHEMBL1567597 0.85 HPGD (0.61) HPGDALDH1A1SMN1; SMN2NISCHHTT
SCHEMBL30946854 0.85 NISCH (0.71) HPGDALDH1A1SMN1; SMN2NISCHHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12551465-B2 Pharmaceutical composition for treatment of hypertrophic cardiomyopathy and treatment method using same composition CELLTRION INC. (KR) 2026-02-17 US claimed
US-12104106-B2 Compositions of chiral molecules and perovskite nanocrystals and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2024-10-01 US claimed
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CARDURION PHARMACEUTICALS, INC. (US) 2024-06-04 US claimed
CN-117105931-A Method for preparing pyridopyrimidine compounds and intermediate thereof 上海翰森生物医药科技有限公司 2023-11-24 CN claimed
CN-117004679-A Molecular evolution and catalytic synthesis of (S) -1, 4-benzodioxane by candida antarctica lipase B 上海交通大学 2023-11-07 CN claimed
US-20230190708-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF HYPERTROPHIC CARDIOMYOPATHY AND TREATMENT METHOD USING SAME COMPOSITION CELLTRION, INC. (KR) 2023-06-22 US claimed
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE CELLTRION, INC. (KR) 2023-04-20 US claimed
EP-4140482-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF HYPERTROPHIC CARDIOMYOPATHY AND TREATMENT METHOD USING SAME COMPOSITION Celltrion, Inc. (KR) 2023-03-01 EP claimed
CN-115297858-A Pharmaceutical composition for treating hypertrophic cardiomyopathy and treatment method using same 赛特瑞恩股份有限公司 2022-11-04 CN claimed
US-20220326082-A1 CHIRAL HETEROSTRUCTURES Alliance for Energy Innovation, LLC 2022-10-13 US claimed
US-6608200-B1 Saponification and amidation of ethyl-2,3-dihydrobenzo(1,4)-dioxin-2-carboxylate with piperazine; purification COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-08-19 US claimed
US-6500835-B2 FOR PROPHYLAXIS AND THERAPY OF FIBROSIS INVOLVING EXTRACELLULAR MATRIX DYSBOLISM HAVING A CHYMASE INHIBITOR AS AN EFFECTIVE INGREDIENT; SIDE EFFECT REDUCTION SUNTORY LIMITED (JP) 2002-12-31 US claimed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US claimed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP claimed
EP-0833937-B1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACOR INC (US) 2002-01-23 EP claimed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO claimed
EP-0833937-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS Seprachem, Inc. (US) 1998-04-08 EP claimed
WO-1996040976-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACHEM, INC. (US) 1996-12-19 WO claimed
US-5529929-A USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE SEPRACHEM, INC. (US) 1996-06-25 US claimed
EP-0138358-A1 The preparation and use of 2-[2-(1,4-benzodioxanyl)]-2-imidazoline in therapy Farmos-Yhtyma Oy (FI) 1985-04-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications PTGS2, PTGES2, PTGES HPGD 24/4885ALDH1A1 643/4885SMN1; SMN2 4345/4885
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CDK8, PRMT8, RPS8 HPGD 2516/4885ALDH1A1 2636/4885SMN1; SMN2 1150/4885
US-12551465-B2 Pharmaceutical composition for treatment of hypertrophic cardiomyopathy and treatment method using same composition ME2, TNNT2, TNNC1 HPGD 213/4885ALDH1A1 440/4885SMN1; SMN2 413/4885
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE SDHA, SDHB, ALDH5A1 HPGD 256/4885ALDH1A1 230/4885SMN1; SMN2 2138/4885
US-20230190708-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF HYPERTROPHIC CARDIOMYOPATHY AND TREATMENT METHOD USING SAME COMPOSITION ATP2A2, CPT1B, TNNT2 HPGD 1156/4885ALDH1A1 1793/4885SMN1; SMN2 105/4885

“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.