SCHEMBL309080

SCHEMBL309080

O=C(CCCCCCCCCNC(=O)c1ccccc1C(=O)O)OO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
HCRTR1 O43613 1/20 0.50
KMT2A Q03164 1/20 0.49
APEX1 P27695 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALOX5 P09917 1/20 0.48
NAAA Q02083 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL721515 1.00 ALDH1A1 (0.53) ALDH1A1HTTTSHRHCRTR1KMT2A
SCHEMBL8655629 0.94 HTT (0.53) HTTTSHRHCRTR1KMT2AAPEX1
SCHEMBL6235837 0.89 ALDH1A1 (0.50) ALDH1A1HTTTSHRHCRTR1ALOX5
SCHEMBL6232042 0.89 ALDH1A1 (0.50) ALDH1A1HTTTSHRHCRTR1ALOX5
SCHEMBL6230682 0.89 ALDH1A1 (0.50) ALDH1A1HTTTSHRHCRTR1ALOX5
SCHEMBL6232594 0.89 ALDH1A1 (0.50) ALDH1A1HTTTSHRHCRTR1ALOX5
SCHEMBL6149339 0.89 ALDH1A1 (0.50) ALDH1A1HTTTSHRHCRTR1ALOX5
SCHEMBL8655179 0.88 KMT2A (0.54) ALDH1A1HTTTSHRHCRTR1KMT2A
SCHEMBL45537 0.86 ALDH1A1 (0.48) ALDH1A1HTTTSHRKMT2AAPEX1
SCHEMBL19077949 0.85 MAPK1 (0.63) ALDH1A1HTTTSHRKMT2AAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349781-B2 Fluid reservoir HENKEL AG & CO. KGAA (DE) 2013-01-08 US disclosed
US-20120093902-A1 FLUID RESERVOIR HENKEL AG & CO. KGAA (DE) 2012-04-19 US disclosed
US-20120077728-A1 FLUID RESERVOIR HENKEL AG & CO. KGAA (DE) 2012-03-29 US disclosed
US-8093197-B2 Fluid reservoir HENKEL AG & CO. KGAA (DE) 2012-01-10 US disclosed
US-20090035337-A1 Fluid Reservoir HENKEL AG & CO. KGAA (DE) 2009-02-05 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-20090035337-A1 Fluid Reservoir CD44, VCL, PEF1 ALDH1A1 2195/4885HTT 365/4885TSHR 3619/4885
US-20120077728-A1 FLUID RESERVOIR CD44, VCL, PEF1 ALDH1A1 2195/4885HTT 365/4885TSHR 3619/4885
US-20120093902-A1 FLUID RESERVOIR CD44, VCL, PEF1 ALDH1A1 2195/4885HTT 365/4885TSHR 3619/4885

“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.