SCHEMBL9044976

SCHEMBL9044976

CCOC(=O)[C@H](C)OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
METAP2 P50579 1/20 0.35
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33
PPOX P50336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8979396 1.00 ALDH1A1 (0.39) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL8374251 1.00 ALDH1A1 (0.39) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL29198506 1.00 ALDH1A1 (0.39) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL7263222 0.86 RAB9A (0.35) MEN1KMT2ASLC6A3RAB9ATSHR
SCHEMBL13983475 0.86 RAB9A (0.35) MEN1KMT2ASLC6A3RAB9ATSHR
SCHEMBL7263221 0.86 RAB9A (0.35) MEN1KMT2ASLC6A3RAB9ATSHR
SCHEMBL8632433 0.86 ALDH1A1 (0.40) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL10493718 0.85 METAP2 (0.38) ALDH1A1METAP2MEN1KMT2ACYP2C19
SCHEMBL14017319 0.85 ALDH1A1 (0.37) ALDH1A1METAP2CYP2D6MEN1KMT2A
SCHEMBL2380756 0.84 SLC6A3 (0.43) ALDH1A1MEN1KMT2ASLC6A3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121421-B1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2026-03-11 EP disclosed
US-20260034106-A1 Macrocyclic ligands for FK506-binding proteins for treatment of diseases with improved characteristics UNIV DARMSTADT TECH (DE) 2026-02-05 US disclosed
EP-4686495-A1 MACROCYCLIC LIGANDS FOR FK506-BINDING PROTEINS FOR TREATMENT OF DISEASES WITH IMPROVED CHARACTERISTICS Technische Universität Darmstadt (DE) 2026-02-04 EP disclosed
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors NOVARTIS AG (CH) 2024-09-10 US disclosed
EP-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP disclosed
US-20150329582-A1 SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-11-19 US disclosed
US-20150329582-A1 SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-11-19 US disclosed
WO-2015175695-A1 SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS DEBRABANDER JEF (US) 2015-11-19 WO disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
EP-0728752-A1 Triazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-28 EP disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP 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 (4 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-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors YAP1, TEAD3, TEAD2 ALDH1A1 3440/4885METAP2 3885/4885CYP2D6 2328/4885
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 ALDH1A1 3440/4885METAP2 3885/4885CYP2D6 2328/4885
US-20260034106-A1 Macrocyclic ligands for FK506-binding proteins for treatment of diseases with improved characteristics FKBP3, FKBP2, FKBP1B ALDH1A1 4381/4885METAP2 3260/4885CYP2D6 565/4885
US-20150329582-A1 SMALL MOLECULE COMPOUNDS SELECTIVE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS MANBA, DDOST, PGLS ALDH1A1 4342/4885METAP2 2553/4885CYP2D6 3671/4885

“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.