SCHEMBL330094

SCHEMBL330094

CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.67
EBP Q15125 4/20 0.67
CYP2D6 P10635 2/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56
LTA4H P09960 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
MCHR1 Q99705 5/20 0.50
ESR1 P03372 4/20 0.47
KCNH2 Q12809 3/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM1 P11229 2/20 0.47
PTGS1 P23219 2/20 0.47
SLC6A2 P23975 2/20 0.47

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
SCHEMBL16910242 0.93 SIGMAR1 (0.69) SIGMAR1EBPCYP2D6HTTCYP1A2
Citric Acid SCHEMBL17164694 0.90 KDM4E (0.59) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL2896442 0.88 CYP2D6 (0.54) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL3294808 0.88 CYP2D6 (0.54) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL7753432 0.87 SIGMAR1 (0.79) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL8707174 0.86 EBP (0.56) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL4310502 0.86 EBP (0.81) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL4314565 0.84 EBP (0.53) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL10356744 0.83 CYP2D6 (0.58) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL10368035 0.82 HTT (0.56) SIGMAR1HTTCYP1A2LTA4HCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118477176-A Estrogen analogue, estrogen receptor activator and application thereof 广州国家实验室 2024-08-13 CN claimed
US-11850306-B2 Method for drying hydrogel comprising nanofibrillar cellulose and a dried hydrogel comprising nanofibrillar cellulose UPM-KYMMENE CORPORATION (FI) 2023-12-26 US claimed
US-20200360411-A1 REPURPOSCINS: TARGETED INHIBITORS OF MITOCHONDRIAL BIOGENESIS FOR ERADICATING CANCER STEM CELLS LUNELLA BIOTECH, INC. (CA) 2020-11-19 US claimed
EP-3717015-A1 REPURPOSCINS: TARGETED INHIBITORS OF MITOCHONDRIAL BIOGENESIS FOR ERADICATING CANCER STEM CELLS Lunella Biotech, Inc. (CA) 2020-10-07 EP claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP claimed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO claimed
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives WYETH LLC (US) 2012-08-30 US claimed
US-8147561-B2 Methods and devices to curb appetite and/or reduce food intake ENDOSPHERE, INC. (US) 2012-04-03 US claimed
US-20110295337-A1 Systems and Methods For Regulating Metabolic Hormone Producing Tissue ETHICON ENDO-SURGERY, INC. 2011-12-01 US claimed
EP-0723439-B1 COMBINATION OF PROGESTERONE ANTAGONISTS AND ANTI-OESTROGENS WITH PARTIAL AGONISTIC ACTION FOR USE IN HORMONE-REPLACEMENT THERAPY FOR PERI- AND POST-MENOPAUSAL WOMEN SCHERING AG (DE) 2000-09-13 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
US-5733902-A Compounds having antiprogestational and anti-estrogenic activities for the treatment of hormone-dependent tumors SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-31 US claimed
US-5719136-A Combination of progesterone antagonists and antiestrogens with partial agonistic action for hormone substitution therapy for perimenopausal and postmenopausal women SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-17 US claimed
US-5650425-A ANTICARCINOGENIC, ANTAGONIST, ANTITUMOR AGENTS AND ANTIINFLAMMATORY AGENTS PHARMOS CORPORATION (US) 1997-07-22 US claimed
EP-0754036-A1 PERMANENTLY IONIC DERIVATIVES OF STEROID HORMONES AND THEIR ANTAGONISTS PHARMOS CORPORATION (US) 1997-01-22 EP claimed
WO-1995026720-A1 PERMANENTLY IONIC DERIVATIVES OF STEROID HORMONES AND THEIR ANTAGONISTS PHARMOS CORPORATION (US) 1995-10-12 WO claimed
US-4894373-A CLOMIPHEN, ISOMERS AND SALTS BCM TECHNOLOGIES, INC. (US) 1990-01-16 US claimed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP claimed
US-4310523-A Combined antiestrogens and antigonadotropically effective antiandrogens for the prophylaxis and therapy of hyperplasia of the prostate SCHERING AKTIENGESELLSCHAFT (DE) 1982-01-12 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-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives OXTR, GNRHR, SHBG SIGMAR1 217/4885EBP 1971/4885CYP2D6 361/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 SIGMAR1 1981/4885EBP 3677/4885CYP2D6 970/4885

“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.