SCHEMBL875694

SCHEMBL875694

CC(C)NC(Oc1ccc(CCOCC2CC2)cc1)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ADRB2 P07550 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL9661057 0.86 ADRB1 (0.48) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7289414 0.84 ADRB1 (0.60) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL21775617 0.83 ADRB1 (0.45) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL4236119 0.80 ADRB1 (0.52) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL6833323 0.79 ADRB1 (0.69) ADRB1LMNACYP2D6MEN1CYP1A2
Hydrochloric Acid SCHEMBL7930799 0.78 LMNA (0.63) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL5318404 0.76 ADRB1 (0.51) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL2585659 0.74 PPARG (0.39) ADRB1LMNACYP2D6CYP1A2ADRB2
Betaxolol SCHEMBL23531 0.74 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL23530 0.74 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115337267-B Preparation method and application of acid-responsive drug delivery platform based on liposome nano vesicles 中国科学技术大学 2023-10-20 — — CN disclosed
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 — — CN disclosed
CN-115337267-A Preparation method and application of acid-responsive drug delivery platform based on liposome nano-vesicles 中国科学技术大学 2022-11-15 — — CN disclosed
EP-3853305-A1 HIGH-PURITY PEG LIPIDS AND USES THEREOF ModernaTX, Inc. (US) 2021-07-28 — — EP disclosed
EP-3852732-A1 PEG LIPIDS AND USES THEREOF ModernaTX, Inc. (US) 2021-07-28 — — EP disclosed
EP-3787642-A1 MATRIX BOUND VESICLES (MBVS) CONTAINING IL-33 AND THEIR USE University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2021-03-10 — — EP disclosed
EP-3716968-A1 SIGMA-1 RECEPTOR AGONIST SYSTOLIC BLOOD PRESSURE THERAPY Anavex Life Sciences Corp. (US) 2020-10-07 — — EP disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
WO-2020061295-A1 HIGH-PURITY PEG LIPIDS AND USES THEREOF MODERNATX, INC. (US) 2020-03-26 — — WO disclosed
WO-2020061284-A1 PEG LIPIDS AND USES THEREOF MODERNATX, INC. (US) 2020-03-26 — — WO disclosed
WO-2005023182-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 — — WO disclosed
WO-2005018561-A2 NITROSATED AND NITROSYLATED CARDIOVASCULAR COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-03 — — WO disclosed
EP-1451577-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-09-01 — — EP disclosed
EP-1386165-A2 INFLAMMATORY MARKERS FOR DETECTION AND PREVENTION OF DIABETES MELLITUS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-02-04 — — EP disclosed
WO-2003094856-A2 1L1RL-1 AS A CARDIOVASCULAR DISEASE MARKER AND THERAPEUTIC TARGET THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-11-20 — — WO disclosed
WO-2003040691-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-05-15 — — WO disclosed
EP-1216037-A2 METHODS AND COMPOSITIONS FOR TREATING PLATELET-RELATED DISORDERS USING MPL PATHWAY INHIBITORY AGENTS Emory University (US) 2002-06-26 — — EP disclosed
WO-2002048715-A2 INFLAMMATORY MARKERS FOR DETECTION AND PREVENTION OF DIABETES MELLITUS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-06-20 — — WO disclosed
WO-2002038794-A2 CARDIOVASCULAR DISEASE DIAGNOSTIC AND THERAPEUTIC TARGETS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-05-16 — — WO disclosed
WO-2001021163-A2 METHODS AND COMPOSITIONS FOR TREATING PLATELET-RELATED DISORDERS USING MPL PATHWAY INHIBITORY AGENTS EMORY UNIVERSITY (US) 2001-03-29 — — 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 (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-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRB1 208/4885LMNA 2085/4885CYP2D6 17/4885

“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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