SCHEMBL5497399

SCHEMBL5497399

COC(Cc1ccccc1)C(C)/C=C(C)/C=C/C(N)C(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.62
PPM1A P35813 2/20 0.59
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LTA4H P09960 1/20 0.38
SLC15A1 P46059 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
SRR Q9GZT4 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL4315586 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL4315591 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL4315593 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL27858195 0.75 CYP1A2 (0.50) PPM1BALPIPKMPTGS1XIAP
SCHEMBL20576648 0.73 PPM1B (0.41) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL31106393 0.71 TRPA1 (0.51) PPM1BALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1695172 0.67 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4992286 0.67 ACE (0.42) PPM1BALPIPKMPTGS1XIAP
SCHEMBL8561050 0.66 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17905254 0.65 MEN1 (0.46) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275885-A1 Microcystins as agents for treatment of cancer UNIVERSITY OF KENTUCKY (US) 2007-11-29 US claimed
US-20250082595-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON’S DISEASE NEURODERM LTD (IL) 2025-03-13 US disclosed
US-20240315997-A1 METHOD OF TREATMENT OF PARKINSON’S DISEASE NEURODERM, LTD. (IL) 2024-09-26 US disclosed
US-11844754-B2 Methods for treatment of Parkinson's disease NEURODERM, LTD. (IL) 2023-12-19 US disclosed
WO-2023209055-A1 CALPROTECTIN BINDING PEPTIDES BÜHLMANN LABORATORIES AG (CH) 2023-11-02 WO disclosed
WO-2023164003-A2 REAGENTS FOR LABELING BIOMOLECULES AND USES THEREOF ULTIMA GENOMICS, INC. (US) 2023-08-31 WO disclosed
WO-2023126945-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-07-06 WO disclosed
US-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-05-25 US disclosed
US-11512114-B2 Modified microcystins and nodularins CYANO BIOTECH GMBH (DE) 2022-11-29 US disclosed
US-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF NEURODERM LTD (IL) 2022-11-17 US disclosed
WO-2018206715-A2 MODIFIED MICROCYSTINS AND NODULARINS CYANO BIOTECH GMBH (DE) 2018-11-15 WO disclosed
US-20180321237-A1 Protocol for Preconcentration and Quantification of Microcystins Using LC-MS THE UNIVERSITY OF TOLEDO (US) 2018-11-08 US disclosed
US-20180127293-A1 CHLORINATION-UV PROCESS FOR DECOMPOSITION AND DETOXIFICATION OF MICROCYSTIN-LR PURDUE RESEARCH FOUNDATION 2018-05-10 US disclosed
WO-2018071954-A1 RECOMBINANT MICROCYSTIN PRODUCTION NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2018-04-26 WO disclosed
US-9006173-B2 Microcystins as agents for treatment of cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-04-14 US disclosed
EP-2313776-B1 IMMUNOASSAY FOR DETECTION OF NEUROTOXIC AMINO ACID ASSOCIATED WITH NEUROLOGICAL DISORDERS INST ETHNOMEDICINE (US) 2013-10-30 EP disclosed
US-20070275885-A1 Microcystins as agents for treatment of cancer UNIVERSITY OF KENTUCKY (US) 2007-11-29 US disclosed
US-20070059699-A1 Methods for detecting toxic and non-toxic cyanobacteria SIVONEN KAARINA 2007-03-15 US disclosed
EP-1629114-A2 METHOD FOR DETECTING TOXIC AND NON-TOXIC CYANOBACTERIA Helsingin Yliopisto (FI) 2006-03-01 EP disclosed
WO-2004104211-A2 METHOD FOR DETECTING TOXIC AND NON-TOXIC CYANOBACTERIA HELSINGIN YLIOPISTO (FI) 2004-12-02 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 (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-11844754-B2 Methods for treatment of Parkinson's disease DDC, DDT, SLC6A3 PPM1B 522/4885PPM1A 795/4885ALPI 228/4885
US-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF DAO, DDC, AADAT PPM1B 925/4885PPM1A 607/4885ALPI 2041/4885
US-20240315997-A1 METHOD OF TREATMENT OF PARKINSON’S DISEASE DDC, DDT, COMT PPM1B 364/4885PPM1A 626/4885ALPI 331/4885
US-20250082595-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON’S DISEASE DDC, COMT, DDT PPM1B 294/4885PPM1A 405/4885ALPI 247/4885
US-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE DDC, DDT, COMT PPM1B 540/4885PPM1A 826/4885ALPI 247/4885

“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.