SCHEMBL541982

SCHEMBL541982

C=C(C(=O)OC(C)(C)C)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL6744698 0.84 DGAT1 (0.33) CYP2D6CA1CA2CA7DGAT1
Lactic Acid SCHEMBL27981589 0.81 TP53 (0.44) TP53CYP2D6CA1CA2CA7
SCHEMBL9362822 0.80 CYP2D6 (0.32) CYP2D6CA1CA2CA7DGAT1
SCHEMBL4209325 0.80 CA1 (0.32) CYP2D6CA1CA2CA7DGAT1
SCHEMBL28117660 0.79
SCHEMBL23094033 0.78 LMNA (0.34) DGAT1
SCHEMBL27982246 0.78 CA1 (0.31) CA1CA2CA7DGAT1
SCHEMBL7696488 0.77 DGAT1 (0.32) DGAT1
SCHEMBL11687587 0.76 CA1 (0.32) CA1CA2CA7DGAT1
SCHEMBL28117860 0.75

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419525-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-17 US disclosed
US-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
EP-4419525-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
EP-4406948-A1 PYRIDINE DERIVATIVE AND USE THEREOF Sichuan Huiyu Pharmaceutical Co., Ltd. (CN) 2024-07-31 EP disclosed
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
CN-107033186-A Posaconazole derivative, its pharmaceutical composition and purposes 武汉朗来科技发展有限公司 2017-08-11 CN disclosed
EP-2415751-B1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON CATALYTIC CHEM IND (JP) 2014-11-26 EP disclosed
US-20120082939-A1 ACTIVE LIGHT RAY SENSITIVE OR RADIOACTIVE RAY SENSITIVE RESIN COMPOSITION, AND ACTIVE LIGHT RAY SENSITIVE OR RADIOACTIVE RAY SENSITIVE FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2012-04-05 US disclosed
US-20120082939-A1 ACTIVE LIGHT RAY SENSITIVE OR RADIOACTIVE RAY SENSITIVE RESIN COMPOSITION, AND ACTIVE LIGHT RAY SENSITIVE OR RADIOACTIVE RAY SENSITIVE FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2012-04-05 US disclosed
CN-102378626-A Polymer-agent conjugates, particles, compositions, and related methods of use CERULEAN PHARMA INC 2012-03-14 CN disclosed
EP-2415751-A1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF Nippon Shokubai Co., Ltd. (JP) 2012-02-08 EP disclosed
EP-0675885-B1 NOVEL RING OPENING MONOMERS COMMW SCIENT IND RES ORG (AU) 2000-09-06 EP disclosed
US-5665839-A Ring opening monomers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-09-09 US disclosed
EP-0675885-A4 1995-10-25 EP disclosed
EP-0675885-A1 NOVEL RING OPENING MONOMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-10-11 EP disclosed
WO-1994014792-A1 NOVEL RING OPENING MONOMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-07-07 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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF KRAS, NRAS, BRAF TP53 10/4885CYP2D6 2305/4885CA1 3768/4885
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA TP53 4/4885CYP2D6 41/4885CA1 1873/4885

“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.