SCHEMBL4928507

SCHEMBL4928507

COC(=O)c1cc(F)ccc1COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.55
MAOB P27338 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.41
BACE1 P56817 1/20 0.41
PTPN1 P18031 1/20 0.40
GAA P10253 2/20 0.40
MMP1 P03956 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HIF1A Q16665 1/20 0.39
OPRK1 P41145 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39

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
SCHEMBL4650715 0.79 FFAR4 (0.60) FFAR4MAOBHRH3ALDH1A1MAPT
SCHEMBL4936414 0.78 FFAR4 (0.53) FFAR4MAOBHRH3ALDH1A1MAPT
SCHEMBL4650030 0.76 FFAR4 (0.55) FFAR4MAOBHRH3PTGDR2MRGPRX4
SCHEMBL17028645 0.75 FFAR4 (0.82) FFAR4
SCHEMBL31123692 0.75 RAB9A (0.57) MAOBALDH1A1MAPTSMN1; SMN2MRGPRX4
SCHEMBL3987229 0.75 NR4A2 (0.48) FFAR4MAOBALDH1A1MAPTGSK3B
SCHEMBL4651759 0.74 FFAR4 (0.56) FFAR4MAOBHRH3
SCHEMBL15626640 0.74 PPM1D (0.44) ALDH1A1MAPTOPRK1
SCHEMBL4650820 0.74 FFAR4 (0.52) FFAR4MAOBHRH3ALDH1A1MAPT
SCHEMBL18863317 0.73 PTGDR2 (0.47) ALDH1A1PTGDR2OPRK1

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 806/4885MAOB 2643/4885HRH3 1192/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT FFAR4 816/4885MAOB 1327/4885HRH3 2214/4885

“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.