SCHEMBL1662433

SCHEMBL1662433

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)Cl)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
CRHR1 P34998 2/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4866079 0.83 ALDH1A1 (0.32) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL17267904 0.79 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTHTTSMN1; SMN2
SCHEMBL2590249 0.75 SLC6A3 (0.44) ALDH1A1NPSR1MAPTHTTKDM4E
SCHEMBL15194885 0.74
SCHEMBL31226864 0.74 MEN1 (0.32) ALDH1A1NPSR1MAPTCRHR1
SCHEMBL4219437 0.73 ALDH1A1 (0.35) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL16834246 0.72 ALDH1A1 (0.37) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL5790127 0.72 ALDH1A1 (0.37) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL2796756 0.72 ALDH1A1 (0.34) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL29713642 0.72 ALDH1A1 (0.34) ALDH1A1NPSR1POLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed
US-9796662-B2 Esteramines and derivatives from natural oil metathesis STEPAN COMPANY (US) 2017-10-24 US disclosed
EP-2804936-B1 RENEWABLE FATTY ACID WAXES AND METHODS OF MAKING ELEVANCE RENEWABLE SCIENCES (US) 2016-03-23 EP disclosed
US-9290719-B2 Renewable fatty acid waxes and methods of making ELEVANCE RENEWABLE SCIENCES, INC. (US) 2016-03-22 US disclosed
US-20160023989-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2016-01-28 US disclosed
US-20130178640-A1 RENEWABLE FATTY ACID WAXES AND METHODS OF MAKING ELEVANCE RENWABLE SCIENCES, INC. (US) 2013-07-11 US disclosed
WO-2011039737-A1 IMPROVED BALLISTIC RESISTANT COMPOSITE ARTICLES WITH POLYDICYCLOPENTADIENE (PDCPD) PALTECHNICA (IL) 2011-04-07 WO 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-20160023989-A1 ESTERAMINES AND DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, SGMS1 ALDH1A1 858/4885NPSR1 2791/4885POLB 824/4885

“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.