SCHEMBL4315593

SCHEMBL4315593

COC(Cc1ccccc1)C(C)C=C(C)C=CC(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
SCHEMBL5497399 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL4315591 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019160858-A1 POLYPRROLE-BASED EXTRACTION MATERIALS FOR MICROCYSTIN SEPARATION AND EXTRACTION THE UNIVERSITY OF TOLEDO (US) 2019-08-22 WO claimed
US-20070275885-A1 Microcystins as agents for treatment of cancer UNIVERSITY OF KENTUCKY (US) 2007-11-29 US claimed
EP-4746912-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES Simris Biologics GmbH (DE) 2026-05-27 EP disclosed
EP-4577248-A1 A METHOD OF MODIFYING AN ORGANIC CYTOTOXIN FOR USE AS A PAYLOAD IN AN ANTIBODY-DRUG CONJUGATE AND MODIFIED ORGANIC CYTOTOXINS DERIVED THEREFROM Simris Biologics GmbH (DE) 2025-07-02 EP disclosed
CN-119789876-A Method of modifying organic cytotoxins for use as payloads in antibody-drug conjugates and modified organic cytotoxins derived therefrom 辛利斯生物制药有限责任公司 2025-04-08 CN disclosed
US-20250082595-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON’S DISEASE NEURODERM LTD (IL) 2025-03-13 US disclosed
WO-2025021727-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES SIMRIS BIOLOGICS GMBH (DE) 2025-01-30 WO disclosed
EP-4494656-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES Simris Biologics GmbH (DE) 2025-01-22 EP disclosed
EP-4460289-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE Neuroderm, Ltd. (IL) 2024-11-13 EP disclosed
US-20240315997-A1 METHOD OF TREATMENT OF PARKINSON’S DISEASE NEURODERM, LTD. (IL) 2024-09-26 US disclosed
CN-117683836-A Methods for modifying microcystins and arthrosrottoxins 辛利斯生物制药有限责任公司 2024-03-12 CN disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US 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-1210373-B1 CONGENER INDEPENDENT DETECTION OF MICROCYSTIN AND NODULARIN CONGENERS UNIV CALIFORNIA (US) 2006-07-05 EP 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
EP-1210373-A2 CONGENER INDEPENDENT DETECTION OF MICROCYSTIN AND NODULARIN CONGENERS The Regent of the University of California (US) 2002-06-05 EP disclosed
WO-2001018059-A2 CONGENER INDEPENDENT DETECTION OF MICROCYSTIN AND NODULARIN CONGENERS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-15 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 (2 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-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

“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.