SCHEMBL1453582

SCHEMBL1453582

CCCC[Sn](CCCC)(CCCC)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 2/20 0.45
ALDH1A1 P00352 3/20 0.40
MGLL Q99685 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP19A1 P11511 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1983658 0.83 TSHR (0.32) TSHR
SCHEMBL8187613 0.81
SCHEMBL2389905 0.79 DRD2 (0.43) TSHRHSD17B10DRD2DRD3
SCHEMBL5161870 0.78 TSHR (0.33) TSHRHSD17B10CYP2A6KDM4EL3MBTL1
SCHEMBL15648671 0.77 BDKRB2 (0.36) TSHRHSD17B10ALDH1A1CYP19A1KDM4E
SCHEMBL15648819 0.77 BDKRB2 (0.36) TSHRHSD17B10ALDH1A1CYP19A1KDM4E
SCHEMBL1452840 0.75 HTT (0.38) TSHRALDH1A1HPGDHTTL3MBTL1
SCHEMBL6785580 0.74 CYP2A6 (0.52) TSHRHSD17B10CYP2A6ALDH1A1MGLL
SCHEMBL7012232 0.74 TSHR (0.36) TSHRALDH1A1HPGD
SCHEMBL2429966 0.74 KDM4E (0.46) TSHRHSD17B10CYP2A6ALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117674-A1 MICROFLUIDIC REACTOR FOR CONTROLLING CHEMICAL REACTION AND CHEMICAL REACTION CONTROL METHOD USING THE SAME POSTECH Research and Business Development Foundation (KR) 2023-04-20 US disclosed
CN-108864173-B Process for converting substituted sodium arylsulfinates into aryltri-n-butyltin 天津师范大学 2020-07-21 CN disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-8513268-B2 1H-quinazoline-2,4-diones processes for their production, pharmaceutical compositions, and treatment for epilepsy NOVARTIS AG (CH) 2013-08-20 US disclosed
EP-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 EP disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed
EP-0745089-B1 ANTIPARASITIC AGENTS PFIZER LTD (GB) 1998-12-09 EP disclosed
US-5723488-A Antiparasitic agents PFIZER INC. (US) 1998-03-03 US disclosed
US-5609848-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1997-03-11 US disclosed
EP-0745089-A1 ANTIPARASITIC AGENTS Pfizer Limited (GB) 1996-12-04 EP disclosed
WO-1995022552-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 1995-08-24 WO disclosed
US-5213787-A RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-05-25 US disclosed
US-5045303-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1991-09-03 US disclosed
US-4885153-A Radiohalogenated for proteins NEORX CORPORATION (US) 1989-12-05 US disclosed
EP-0203764-A2 Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1986-12-03 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 (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-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 TSHR 2588/4885HSD17B10 1490/4885CYP2A6 434/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 TSHR 2037/4885HSD17B10 2096/4885CYP2A6 210/4885

“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.