SCHEMBL3988845

SCHEMBL3988845

O=C(CCCl)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HSD11B1 P28845 3/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA2A P08913 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10975907 0.98 CES2 (0.46) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL10971003 0.86 CES2 (0.39) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL2234734 0.84 CES2 (0.42) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL3990466 0.79
SCHEMBL7714802 0.78 CES2 (0.43) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL23727961 0.77 CES2 (0.43) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL9043577 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL4437402 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL1088091 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL2127808 0.75 CES2 (0.42) CES2CES1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200373599-A1 AQUEOUS REDOX FLOW BATTERY ELECTROLYTES WITH HIGH CHEMICAL AND ELECTROCHEMICAL STABILITY, HIGH WATER SOLUBILITY, LOW MEMBRANE PERMEABILITY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-26 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed
US-6613844-B2 Polyhydroxystyrene type polymer containing acid labile groups, endcapped and optionally crosslinked; improved alkali dissolution contrast, sensitivity, resolution, plasma etching resistance, heat resistance, and reproducibility SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-09-02 US disclosed
US-20030013832-A1 Novel styrene polymer, chemically amplified positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-01-16 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 (3 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 CES2 377/4885CES1 11/4885HDAC8 1527/4885
US-20200373599-A1 AQUEOUS REDOX FLOW BATTERY ELECTROLYTES WITH HIGH CHEMICAL AND ELECTROCHEMICAL STABILITY, HIGH WATER SOLUBILITY, LOW MEMBRANE PERMEABILITY SLC40A1, GPX4, FES CES2 2053/4885CES1 3261/4885HDAC8 4365/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 CES2 377/4885CES1 11/4885HDAC8 1527/4885

“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.