SCHEMBL4936414

SCHEMBL4936414

COC(=O)c1ccc(CNCCc2cc(F)ccc2COc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PTPN7 P35236 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 1/20 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
SCHEMBL4936500 0.91 FFAR4 (0.57) FFAR4PPARAHRH3
SCHEMBL2885997 0.87 FFAR4 (0.42) FFAR4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6696278 0.80 FFAR4 (0.43) FFAR4NPC1RAB9APTPN7PPARG
SCHEMBL4938902 0.80 FFAR4 (0.51) FFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL4928507 0.78 FFAR4 (0.55) FFAR4ALDH1A1MAPTSMN1; SMN2MAOB
SCHEMBL6430135 0.75 FFAR4 (0.53) FFAR4PPARAMAOBHRH3
SCHEMBL4651759 0.74 FFAR4 (0.56) FFAR4MAOBHRH3
SCHEMBL2985236 0.74 HTR2A (0.58) ALDH1A1SMN1; SMN2
SCHEMBL4650715 0.74 FFAR4 (0.60) FFAR4RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL17028645 0.73 FFAR4 (0.82) FFAR4

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 806/4885NPC1 835/4885RAB9A 3411/4885
US-20050288366-A1 Novel aminodicarboxylic acid derivatives DDC, DAO, AADAT FFAR4 816/4885NPC1 4149/4885RAB9A 3058/4885

“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.