SCHEMBL4589011

SCHEMBL4589011

O=C(O)C1(C(=O)O)CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
AKR1C1 Q04828 1/20 0.31
FFAR3 O14843 1/20 0.31

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
SCHEMBL174397 0.92 FFAR3 (0.32) CYP2C19FFAR3
Hydrochloric Acid SCHEMBL4359360 0.90 FFAR3 (0.31) FFAR3
Hydrochloric Acid SCHEMBL2198959 0.90 FFAR3 (0.31) FFAR3
SCHEMBL741463 0.79
SCHEMBL2489958 0.78 FFAR3 (0.36) FFAR3
SCHEMBL31711959 0.78 ITGB1 (0.40)
SCHEMBL7387847 0.74 NPSR1 (0.37)
SCHEMBL20599744 0.74 CYP3A4 (0.32)
SCHEMBL7713581 0.73 CYP2C19 (0.32) CYP2C19AKR1C1
SCHEMBL29025934 0.73 DGAT1 (0.36)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344704-B2 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi SCHERING AG (DE) 2008-03-18 US claimed
EP-1088558-B1 Galenic formulations comprising paramagnetic and diamagnetic compounds BAYER SCHERING PHARMA AG (DE) 2007-06-27 EP claimed
EP-1519756-B1 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING FOR REPRESENTING INTRAVASCULAR THROMBI BAYER SCHERING PHARMA AG (DE) 2007-05-02 EP claimed
US-6818203-B2 COMPLEXES HAVE CRITICAL MICELLE FORMATION CONCENTRATION, HYDRODYNAMIC MICELLE DIAMETER, AND PROTON RELAXIVITY IN PLASMA CONTRAST MEDIA IN MR IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-16 US claimed
US-20040131546-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi SCHERING AG (DE) 2004-07-08 US claimed
US-20030095924-A1 Galenical formulations SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-22 US claimed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 US claimed
WO-2025041528-A1 OILY SOLID COSMETIC AND HARDNESS IMPROVER FOR OILY SOLID COSMETIC 日清オイリオグループ株式会社 2025-02-27 WO disclosed
WO-2023163035-A1 OLIGOESTER AND COSMETIC CONTAINING SAID OLIGOESTER 日清オイリオグループ株式会社 2023-08-31 WO disclosed
CN-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
US-20070269384-A1 Use of perfluoroalkyl-containing metal complexes as contrast media for diagnosis of Alzheimer's disease BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-11-22 US disclosed
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
US-6818203-B2 COMPLEXES HAVE CRITICAL MICELLE FORMATION CONCENTRATION, HYDRODYNAMIC MICELLE DIAMETER, AND PROTON RELAXIVITY IN PLASMA CONTRAST MEDIA IN MR IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-16 US disclosed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 US disclosed
EP-0219936-A1 Novel platinum complexes Nippon Kayaku Kabushiki Kaisha (JP) 1987-04-29 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 (5 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-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 CYP2C19 4551/4885AKR1C1 3420/4885FFAR3 16/4885
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, MALT1 CYP2C19 4192/4885AKR1C1 2675/4885FFAR3 8/4885
US-20040131546-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of intravascular thrombi PF4, FGB, F2 CYP2C19 3708/4885AKR1C1 2719/4885FFAR3 23/4885
US-20030095924-A1 Galenical formulations GALR1, GALR2, LGALS1 CYP2C19 1173/4885AKR1C1 1370/4885FFAR3 9/4885
US-20070269384-A1 Use of perfluoroalkyl-containing metal complexes as contrast media for diagnosis of Alzheimer's disease APP, APBA1, PSEN1 CYP2C19 3784/4885AKR1C1 2315/4885FFAR3 75/4885

“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.