Simmondsin

Simmondsin

SCHEMBL161237

CO[C@H]1[C@@H](OC)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C#N)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SYNJ2 O15056 2/20 0.38
STAT3 P40763 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTPN1 P18031 2/20 0.36
GJA1 P17302 1/20 0.36
GJB2 P29033 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS4 P56470 1/20 0.35
AMY2A P04746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
Simmondsin SCHEMBL24484258 1.00 MAPT (0.39) MAPTSYNJ2STAT3MEN1KMT2A
Simmondsin SCHEMBL11411453 1.00 MAPT (0.39) MAPTSYNJ2STAT3MEN1KMT2A
Simmondsin SCHEMBL11521057 1.00 MAPT (0.39) MAPTSYNJ2STAT3MEN1KMT2A
Simmondsin SCHEMBL29466685 1.00 MAPT (0.39) MAPTSYNJ2STAT3MEN1KMT2A
SCHEMBL26355780 0.87 SYNJ2 (0.40) SYNJ2STAT3MEN1KMT2APTPN1
SCHEMBL30615017 0.70 PTPN1 (0.44) MAPTSYNJ2MEN1KMT2APTPN1
SCHEMBL30089929 0.70 PTPN1 (0.44) MAPTSYNJ2MEN1KMT2APTPN1
SCHEMBL5791294 0.69 MAPT (0.40) MAPTSYNJ2STAT3MEN1KMT2A
SCHEMBL13401880 0.69 SYNJ2 (0.48) MAPTSYNJ2MEN1KMT2APTPN1
SCHEMBL24737159 0.68 MEN1 (0.45) SYNJ2STAT3MEN1KMT2AGJA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118751-A Celastrus sibiricus and application thereof 江苏农林职业技术学院 2025-06-10 CN claimed
CN-115868447-B Reproduction management method for synchronous estrus-returning and timing insemination of young cattle 新疆天澳牧业有限公司 2024-06-18 CN claimed
US-11406678-B2 Simmondsin formulation Raes, Stefaan (BE) 2022-08-09 US claimed
EP-3452095-B1 SIMMONDSIN FORMULATION Van Den Driessche Herman (BE) 2021-04-07 EP claimed
EP-3452095-A2 SIMMONDSIN FORMULATION Van den Driessche, Herman (BE) 2019-03-13 EP claimed
US-20190070238-A1 SIMMONDSIN FORMULATION VAN DEN DRIESSCHE, HERMAN (BE) 2019-03-07 US claimed
EP-3366306-A2 USE OF SOME PEPTIDES IN DIAGNOSIS AND TREATMENT OF DIABETES, OBESITY AND METABOLIC DISEASES ASSOCIATED THERETO Istanbul Universitesi Rektorlugu (TR) 2018-08-29 EP claimed
EP-3351262-A1 CURAGLUTIDE FOR IN TREATMENT OF PREDIABETES, DIABETES, OBESITY AND METABOLIC DISEASES ASSOCIATED THERETO Istanbul Universitesi Rektorlugu (TR) 2018-07-25 EP claimed
WO-2017191501-A2 SIMMONDSIN FORMULATION D'OOSTERLYNCK ANDRÉ (BE) 2017-11-09 WO claimed
CN-107034142-A Tailor-made oil is prepared in heterotroph microorganism 泰拉瑞亚控股公司 2017-08-11 CN claimed
JP-2003500452-A 2003-01-07 JP claimed
CN-1358458-A Jojoba seed and its extract in use of fat prevention and banting WANG YIHONG (CN) 2002-07-17 CN claimed
EP-1183039-A1 PHARMACEUTICAL PREPARATIONS OF BIOACTIVE SUBSTANCES EXTRACTED FROM NATURAL SOURCES Armadillo Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
US-6245364-B1 FEEDING SIMMONDSIN INTERNATIONAL FLORA TECHNOLOGIES, LTD. 2001-06-12 US claimed
WO-2000072861-A1 PHARMACEUTICAL PREPARATIONS OF BIOACTIVE SUBSTANCES EXTRACTED FROM NATURAL SOURCES ARMADILLO PHARMACEUTICALS, INC. (US) 2000-12-07 WO claimed
US-6007823-A WATER EXTRACTION OF WATER SOLUBLE MATERIAL FROM DEFATTED JOJOBA SEED MEAL, DRYING TO SOLIDIFY EXTRACTS, SELECTIVE SOLVENT EXTRACTION OF SIMMONDSINS WITH ETHANOL LIQUID PHASE AND SEPARATING FROM SOLID PHASE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-12-28 US claimed
WO-1999062530-A1 SIMMONDSIN CONCENTRATE FROM JOJOBA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-12-09 WO claimed
CN-1235547-A Antiherpetic pharmaceutical compositions containing acyclovir for topical applicators RECORDATI CHEM PHARM (CH) 1999-11-17 CN claimed
US-5962043-A FEEDING A SMALL BUT SUFFICIENT AMOUNT OF SIMMONDSIN COMPONENT TO PROVIDE SIMMONDSIN WITHIN THE RANGE OF 0.1% BY WEIGHT OF SAID DOG FOOD DRY MATTER MIX TO ABOUT 1.5% BY WEIGHT OF SAID DOG FOOD DRY MATTER MIX. SEAL ROCK TECHNOLOGIES INCORPORATED (US) 1999-10-05 US claimed
US-4148928-A Method for the extraction of undesirable and/or toxic glucosidic compound from vegetables SNAMPROGETTI S.P.A. (IT) 1979-04-10 US claimed

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-20190070238-A1 SIMMONDSIN FORMULATION SPIN2B, SNCA, CHKB MAPT 171/4885SYNJ2 1319/4885STAT3 452/4885
US-11406678-B2 Simmondsin formulation SPIN2B, SNCA, CHKB MAPT 171/4885SYNJ2 1319/4885STAT3 452/4885

“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.