SCHEMBL4683792

SCHEMBL4683792

CC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ ELANE P08246 2/20 0.58
▸ BCL9 O00512 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ HTR2A P28223 1/20 0.56
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MGLL Q99685 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL31627733 0.89 GAA (0.53) GAAELANEBCL9CTNNB1HTR2A
SCHEMBL4752026 0.88 GAA (0.58) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL14307582 0.88 GAA (0.58) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL31627961 0.86 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL18285287 0.86 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL16671852 0.86 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL9435291 0.86 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL515913 0.86 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL16922669 0.86 GAA (0.57) GAABCL9CTNNB1HTR2AKMT2A
SCHEMBL16261887 0.85 HTR2A (0.59) GAABCL9CTNNB1HTR2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559735-B2 Device for detecting organophosphates PLANTVAX, INC. (US) 2026-02-24 — — US claimed
US-20220062906-A1 DEVICE FOR DETECTING ORGANOPHOSPHATES PLANTVAX, INC. (US) 2022-03-03 — — US claimed
CN-113784801-A Organic phosphorus detection device 普兰特瓦可思公司 2021-12-10 — — CN claimed
WO-2020227413-A1 DEVICE FOR DETECTING ORGANOPHOSPHATES PLANTVAX, INC. (US) 2020-11-12 — — WO claimed
US-12559735-B2 Device for detecting organophosphates PLANTVAX, INC. (US) 2026-02-24 — — US disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 — — WO disclosed
EP-4032984-B1 KINETIC RESOLUTION REACTION OF A (1RS,2SR)-(2-HYDROXY-3,5,5-TRIMETHYL-3-CYCLOPENTENYL)METHYL CARBOXYLATE COMPOUND, A PROCESS FOR PREPARING OPTICALLY ACTIVE TRANS-ALPHA-NECRODYL ISOBUTYRATE, AND A PROCESS FOR PREPARING OPTICALLY ACTIVE GAMMA-NECRODYL ISOBUTYRATE SHINETSU CHEMICAL CO (JP) 2023-10-11 — — EP disclosed
US-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2023-09-14 — — US disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 — — US disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 — — US disclosed
US-11746078-B2 Kinetic resolution reaction of a (1RS,2SR)-(2-hydroxy-3,5,5-trimethyl-3-cyclopentenyl)methyl carboxylate compound, a process for preparing optically active trans-α-necrodyl isobutyrate, and a process for preparing optically active γ-necrodyl isobutyrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-05 — — US disclosed
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. 2023-08-10 — — US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 — — EP disclosed
WO-2004002985-A1 PEPTIDIC THROMBIN INHIBITOR COMPOUND LG LIFE SCIENCES LTD. (KR) 2004-01-08 — — WO disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 — — US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 — — US disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 — — EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 — — US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
CN-1048039-A Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1990-12-26 — — CN 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 (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-12559735-B2 Device for detecting organophosphates BCHE, LIPE, ACHE GAA 225/4885ELANE 848/4885BCL9 2500/4885
US-11746078-B2 Kinetic resolution reaction of a (1RS,2SR)-(2-hydroxy-3,5,5-trimethyl-3-cyclopentenyl)methyl carboxylate compound, a process for preparing optically active trans-α-necrodyl isobutyrate, and a process for preparing optically active γ-necrodyl isobutyrate ACSL1, HSD17B12, ELOVL3 GAA 746/4885ELANE 1372/4885BCL9 3871/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B GAA 1239/4885ELANE 3530/4885BCL9 485/4885
US-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 GAA 264/4885ELANE 2943/4885BCL9 4015/4885
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES ASGR1, LAMP2, FCGR2A GAA 27/4885ELANE 2398/4885BCL9 1304/4885

“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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