SCHEMBL4187873

SCHEMBL4187873

CCCCOc1cccc(I)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
LTA4H P09960 2/20 0.53
THRB P10828 1/20 0.51
SMPD1 P17405 3/20 0.49
PLA2G4B P0C869 2/20 0.49
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.49
NR1H4 Q96RI1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 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
SCHEMBL2352668 0.93 TSHR (0.65) TSHRLTA4HTHRBSMPD1PLA2G4B
SCHEMBL26635331 0.93 TSHR (0.65) TSHRLTA4HTHRBSMPD1PLA2G4B
SCHEMBL25169961 0.93 TSHR (0.65) TSHRLTA4HTHRBSMPD1PLA2G4B
SCHEMBL25167623 0.93 TSHR (0.65) TSHRLTA4HTHRBSMPD1PLA2G4B
SCHEMBL8552100 0.90 KMT2A (0.59) TSHRSMPD1KMT2ANR1H4SMN1; SMN2
SCHEMBL4397448 0.86 TSHR (0.63) TSHRLTA4HTHRBSMPD1PLA2G4B
SCHEMBL13846053 0.83 CYP1A2 (0.53) TSHRSMPD1CYP1A2CYP2C19
SCHEMBL10048853 0.83 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL22296966 0.82 KCNA3 (0.64) LTA4H
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.82 TSHR (0.59) TSHRLTA4HTHRBPLA2G4BTLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AG (DE) 2026-03-26 US disclosed
US-20250353867-A1 Substituted Pyridine-2,6-Bis(Phenylenephenolate) Complexes with Enhanced Solubility that are Useful as Catalyst Components for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC (US) 2025-11-20 US disclosed
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4308551-B1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AG (DE) 2025-04-09 EP disclosed
EP-4519332-A1 SUBSTITUTED PYRIDINE-2,6-BIS (PHENYLENEPHENOLATE) COMPLEXES WITH ENHANCED SOLUBILITY THAT ARE USEFUL AS CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2025-03-12 EP disclosed
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-06-06 US disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335462-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer AG (DE) 2024-03-13 EP disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 EP disclosed
WO-2023215695-A1 SUBSTITUTED PYRIDINE-2,6-BIS (PHENYLENEPHENOLATE) COMPLEXES WITH ENHANCED SOLUBILITY THAT ARE USEFUL AS CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-11-09 WO disclosed
WO-2012040204-A2 CYTOSOLIC FLUORESCENT ION INDICATORS ASANTE RESEARCH, LLC (US) 2012-03-29 WO disclosed
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
WO-2009129036-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-10-22 WO disclosed
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 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 (6 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-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING MAG, GBA1, GLRX3 TSHR 1914/4885LTA4H 3379/4885THRB 3574/4885
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 TSHR 4135/4885LTA4H 504/4885THRB 3978/4885
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING CA13, CCR1, GALC TSHR 637/4885LTA4H 3489/4885THRB 993/4885
US-20250353867-A1 Substituted Pyridine-2,6-Bis(Phenylenephenolate) Complexes with Enhanced Solubility that are Useful as Catalyst Components for Olefin Polymerization HPD, YAP1, PAH TSHR 4771/4885LTA4H 1957/4885THRB 4477/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 TSHR 4586/4885LTA4H 229/4885THRB 4555/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 TSHR 87/4885LTA4H 2444/4885THRB 442/4885

“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.