SCHEMBL4938902

SCHEMBL4938902

COC(=O)CCCCN(CCc1cc(F)ccc1COc1ccc(C2CCCCC2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 16/20 0.51
STAT3 P40763 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE6D O43924 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
SCHEMBL2889790 0.89 FFAR4 (0.41) FFAR4STAT3MAPTPDE6D
SCHEMBL4650113 0.86 FFAR4 (0.62) FFAR4
SCHEMBL6700661 0.83 FFAR4 (0.42) FFAR4STAT3PDE6D
SCHEMBL13009721 0.82 BCHE (0.38) FFAR4STAT3MAPT
SCHEMBL4936414 0.80 FFAR4 (0.53) FFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL2989141 0.78 ALDH1A1 (0.47) FFAR4ALDH1A1MAPTPDE6D
SCHEMBL13881960 0.78 PDE6D (0.44) ALDH1A1MAPTSMN1; SMN2PDE6D
SCHEMBL4929882 0.77 STAT3 (0.47) STAT3ALDH1A1MAPTSMN1; SMN2
SCHEMBL17028645 0.77 FFAR4 (0.82) FFAR4
SCHEMBL13009996 0.77 BCHE (0.36) FFAR4STAT3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329777-B2 Methods for treating heart failure, thromboembolic disorders, and pulmonary fibrosis BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-20050288366-A1 Novel aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-12-29 US disclosed
US-6939990-B2 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-06-10 US 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-20040110840-A1 Novel derivatives of dicarboxylic acid having pharmaceutical properties SDHA, GOT2, MDH2 FFAR4 806/4885STAT3 3798/4885ALDH1A1 349/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT FFAR4 816/4885STAT3 416/4885ALDH1A1 236/4885

“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.