SCHEMBL235685

SCHEMBL235685

C[C@]12CC[C@@H](OS(=O)(=O)O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.80
GRIN2B Q13224 9/20 0.80
MAPK1 P28482 3/20 0.80
ALDH1A1 P00352 1/20 0.71
TP53 P04637 1/20 0.71
MAPT P10636 1/20 0.71
GRIN2D O15399 2/20 0.68
GRIN2A Q12879 2/20 0.68
GRIN2C Q14957 2/20 0.68
GPBAR1 Q8TDU6 4/20 0.65
LMNA P02545 3/20 0.65
CYP3A4 P08684 3/20 0.65
SHBG P04278 2/20 0.65
SERPINA6 P08185 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HSD17B3 P37058 1/20 0.65
PMP22 Q01453 1/20 0.65
AKR1B10 O60218 1/20 0.65
G6PD P11413 1/20 0.65

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
SCHEMBL17006954 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL30421845 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL235684 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL7869703 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL17006955 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL8581388 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL332917 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL2079281 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL136323 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL136324 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250199014-A1 METABOLITE BIOMARKERS FOR DISEASES ASSOCIATED WITH THE CONTACT ACTIVATION SYSTEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-06-19 US claimed
WO-2025123045-A1 PREDICTIVE AND DIAGNOSTIC SCREENING METHODS FOR ENDOMETRIAL CANCER ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-06-12 WO claimed
CN-115128257-B Metabolism marker for predicting liver cancer incidence risk and application thereof 南京医科大学 2025-02-18 CN claimed
CN-113396332-B Method for evaluating pregnancy progression and premature abortion for clinical intervention and use thereof 斯坦福大学托管董事会 2025-02-11 CN claimed
US-12188948-B2 Metabolite biomarkers for diseases associated with the contact activation system TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-01-07 US claimed
US-20240358719-A1 Formulations for Prolonging Gestation and for Complications of Menstruation or Gestation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-10-31 US claimed
EP-4313061-A1 FORMULATIONS FOR PROLONGING GESTATION AND FOR COMPLICATIONS OF MENSTRUATION OR GESTATION The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-07 EP claimed
CN-117202910-A Formulations for prolonging pregnancy and for menstruation or pregnancy complications 斯坦福大学托管董事会 2023-12-08 CN claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
CN-109716137-B Metabolite biomarkers for diseases associated with contact activation systems 武田药品工业株式会社 2023-07-21 CN claimed
US-20100273207-A1 Methods for Diagnosis of Sepsis and Risk of Death LANGLEY RAYMOND 2010-10-28 US claimed
WO-2010124269-A1 METHODS FOR DIAGNOSIS OF SEPSIS AND RISK OF DEATH NATIONAL CENTER FOR GENOME RESOURCES (US) 2010-10-28 WO claimed
JP-4313435-B2 2009-08-12 JP claimed
US-6083941-A TREATMENT OF NEUROPATHIC PAIN, DRUG WITHDRAWAL/DEPENDENCY, EPILEPSY, GLAUCOMA, CHRONIC NEURODEGENERATIVE DISEASES, AMYOTROPHIC LATERAL SCLEROSIS, ANXIETY DISORDERS, BRAIN CELL DEATH, ISCHAEMIA, STROKE, TRAUMA TRUSTEES OF BOSTON UNIVERSITY (US) 2000-07-04 US claimed
US-5888996-A ANTICONVULSANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1999-03-30 US claimed
EP-0840612-A1 INHIBITION OF NMDA RECEPTOR ACTIVITY BY PREGNENOLONE SULFATE DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 1998-05-13 EP claimed
WO-1997003677-A1 INHIBITION OF NMDA RECEPTOR ACTIVITY BY PREGNENOLONE SULFATE DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 1997-02-06 WO claimed
US-5155045-A Altering or regulating length of menstrual cycle by exposing nasal region of female to component of axillary secretions of male TRUSTEES OF THE UNIVERSITY OF PENN. (US) 1992-10-13 US claimed
EP-0209590-A1 THE USE OF MALE ESSENCE, INCLUDING ANDROSTENOL AND DEHYDROEPIANDROSTERONE SULFATE TO TREAT LUTEAL PHASE DEFECTS AND FAILURE TO OVULATE IN HUMAN FEMALES MONELL CHEMICAL SENSES CENTER (US) 1987-01-28 EP claimed
WO-1986004236-A1 THE USE OF MALE ESSENCE, INCLUDING ANDROSTENOL AND DEHYDROEPIANDROSTERONE SULFATE TO TREAT LUTEAL PHASE DEFECTS AND FAILURE TO OVULATE IN HUMAN FEMALES MONELL CHEMICAL SENSES CENTER (US) 1986-07-31 WO 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 (1 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-20240358719-A1 Formulations for Prolonging Gestation and for Complications of Menstruation or Gestation PGF, GNRHR, PTGDR GRIN1 1103/4885GRIN2B 741/4885MAPK1 1825/4885

“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.