SCHEMBL120847

SCHEMBL120847

c1cncc(B2OCCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP2A6 P11509 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.35
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
THRB P10828 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA7 P36544 4/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA2 Q15822 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
PSIP1 O75475 1/20 0.34
TRPA1 O75762 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
SCHEMBL2938113 0.92 CYP2A6 (0.41) ALDH1A1CYP2A6CYP1A2CYP3A4CYP11B2
SCHEMBL31336211 0.80 ALDH1A1 (0.40) ALDH1A1CYP2A6CYP1A2CYP3A4CHRNB2
SCHEMBL14983534 0.77
SCHEMBL14983472 0.77 CYP1A2 (0.32) CYP1A2CYP2C19LMNAMAPT
SCHEMBL2732528 0.76 CYP2A6 (0.46) ALDH1A1CYP2A6CYP1A2CYP3A4CYP11B2
SCHEMBL1136933 0.76 LPL (0.33)
SCHEMBL20312452 0.76
SCHEMBL4078174 0.76 MAPT (0.36) ALDH1A1CYP2A6CYP1A2CYP3A4CHRNB2
SCHEMBL13136869 0.74
SCHEMBL3686725 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022093717-A1 BORON-CONTAINING CHEMICALS AS CATHODE ADDITIVES, SI ANODE ADDITIVES, ELECTROLYTE ADDITIVES OR SEPARATOR MODIFIERS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO claimed
CN-116685327-A Orphan nuclear receptor modulators for the treatment of pancreatitis, glioblastoma, sarcopenia and stroke 埃默里大学 2023-09-01 CN disclosed
WO-2022093717-A1 BORON-CONTAINING CHEMICALS AS CATHODE ADDITIVES, SI ANODE ADDITIVES, ELECTROLYTE ADDITIVES OR SEPARATOR MODIFIERS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed
US-20220131148-A1 BORON-CONTAINING CHEMICALS AS CATHODE ADDITIVES, SI ANODE ADDITIVES, ELECTROLYTE ADDITIVES OR SEPARATOR MODIFIERS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-04-28 US disclosed
US-20200388885-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH LIPO2F2 SALT-CONTAINING ELECTROLYTE FORMULATIONS ENEVATE CORPORATION 2020-12-10 US disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate TOKYO OHKA KOGYO CO, LTD. (JP) 2019-12-10 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 US disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
EP-1173176-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY Aventis Pharma Deutschland GmbH (DE) 2002-01-23 EP disclosed
EP-1157015-A1 POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2001-11-28 EP disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
US-6251922-B1 TREATMENT OF OBESITY AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-26 US disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000051602-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
WO-2000051995-A1 POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 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 (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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 ALDH1A1 3170/4885CYP2A6 2012/4885CYP1A2 1439/4885
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE SLC43A1, SAMHD1, SNRPD2 ALDH1A1 2704/4885CYP2A6 2803/4885CYP1A2 1408/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 ALDH1A1 3118/4885CYP2A6 2031/4885CYP1A2 1241/4885
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate SLC43A1, SAMHD1, SNRPD2 ALDH1A1 2704/4885CYP2A6 2803/4885CYP1A2 1408/4885

“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.