SCHEMBL6903483

SCHEMBL6903483

CCCCC(CC)CO.CCCCC(CC)COC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CYP3A4 P08684 4/20 0.60
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ATM Q13315 1/20 0.60
CA2 P00918 3/20 0.53
RECQL P46063 1/20 0.50
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL14625765 0.93 CYP3A4 (0.68) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL146937 0.93 CYP3A4 (0.68) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL10930013 0.91 CYP3A4 (0.66) ALDH1A1CYP3A4TSHRTDP1ATM
Ammonia Solution, Strong SCHEMBL1878882 0.91 CYP3A4 (0.66) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28146062 0.91 CYP3A4 (0.66) ALDH1A1CYP3A4TSHRTDP1ATM
Acetic Acid SCHEMBL28184357 0.89 CYP3A4 (0.64) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28748130 0.87 CYP3A4 (0.61) ALDH1A1CYP3A4TSHRTDP1ATM
Phosphoric Acid SCHEMBL28839428 0.86 CYP3A4 (0.60) ALDH1A1CYP3A4TSHRTDP1ATM
Acetic Acid Propyl Ester SCHEMBL8079133 0.86 CYP3A4 (0.60) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL8200825 0.86 LMNA (0.55) ALDH1A1CYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097544-A1 Use of an inhibitor of the Na+/H+ exchanger for the production of a medicament for the treatment or prophylaxis of disturbances of the central nervous system HOECHST MARION ROUSSEL DEUTSCHLAND GMBH 2004-05-20 US claimed
US-6420430-B1 USE OF BENZOYLGUANIDINE DERIVATIVES TO PREVENT AGING DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-16 US claimed
EP-0738712-B1 Anti-arrhythmic and cardioprotective substituted indenoylguanidines HOECHST AG (DE) 1999-08-18 EP claimed
EP-0738712-A1 Anti-arrhythmic and cardioprotective substituted indenoylguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-23 EP claimed
CN-1211370-C Imidazole derivatives with biphenylsulfonyl substituents, process for their preparation and their use as pharmaceuticals or diagnostic agents AVENTIS PHARMA GMBH (DE) 2005-07-20 CN disclosed
US-6680404-B1 CONDENSING ACYCLIC ESTERS WITH OXY ALDEHYDES IN THE PRESENCE OF GROUP I COMPOUNDS, THEN DISTILLING THE ALCOHOLS AND COLLECTING OXY UNSATURATED CARBOCYCLIC ESTERS FORMED USED AS SUNSCREEN AGENTS SYMRISE GMBH & CO. KG (DE) 2004-01-20 US disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
CN-1309645-A Imidazole derivatives with biphenylsulfonyl substituents, process for their preparation and their use as pharmaceuticals or diagnostic agents AVENTIS PHARMA GMBH (DE) 2001-08-22 CN disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 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 (1 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-20040097544-A1 Use of an inhibitor of the Na+/H+ exchanger for the production of a medicament for the treatment or prophylaxis of disturbances of the central nervous system SLC9A2, SLC6A2, SLC9A1 ALDH1A1 2739/4885CYP3A4 3397/4885TSHR 1329/4885

“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.