SCHEMBL4929882

SCHEMBL4929882

COC(=O)CCCCN(Cc1ccc(C(=O)OC)cc1)Cc1cccc(Oc2ccc(C3CCCCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.47
MEP1B Q16820 2/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GCGR P47871 2/20 0.39
PTGES O14684 1/20 0.39
SLC2A1 P11166 1/20 0.38
LPAR1 Q92633 3/20 0.38
LPAR5 Q9H1C0 2/20 0.38

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
SCHEMBL4650121 0.85 STAT3 (0.51) STAT3MEP1BGCGRPTGESLPAR1
Hydrochloric Acid SCHEMBL4929857 0.84 STAT3 (0.50) STAT3MEP1BGCGRPTGESLPAR1
SCHEMBL4936910 0.80 SMN1; SMN2 (0.52) STAT3FAAHALDH1A1MAPTSMN1; SMN2
SCHEMBL4938902 0.77 FFAR4 (0.51) STAT3ALDH1A1MAPTSMN1; SMN2
SCHEMBL13009721 0.77 BCHE (0.38) STAT3MAPT
SCHEMBL21656950 0.75 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2
SCHEMBL21656481 0.75 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2889790 0.75 FFAR4 (0.41) STAT3MAPTGCGR
SCHEMBL13009762 0.74 FFAR1 (0.44)
SCHEMBL25752441 0.74 STAT3 (0.76) STAT3ALDH1A1MAPTSMN1; SMN2GCGR

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 STAT3 3798/4885MEP1B 1653/4885FAAH 1333/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT STAT3 416/4885MEP1B 2448/4885FAAH 232/4885

“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.