SCHEMBL309713

SCHEMBL309713

CCCCC(CCCCC(=O)O)OON1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
Hexanoate SCHEMBL27567437 0.84 AKR1B1 (0.48) ALDH1A1HSD17B10FFAR4FFAR1PPARG
SCHEMBL4013811 0.80 PPARG (0.43) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL179773 0.80 PPARG (0.43) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL5047693 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL4595150 0.79 ASAH1 (0.42) ALDH1A1KDM4ETP53GLAPOLB
SCHEMBL4595171 0.78 ASAH1 (0.44) ALDH1A1PPARGCYP1A2CYP2C9ASAH1
SCHEMBL4595984 0.78 ASAH1 (0.44) ALDH1A1PPARGCYP1A2CYP2C9ASAH1
SCHEMBL9899697 0.78 ASAH1 (0.44) ALDH1A1PPARGCYP1A2CYP2C9ASAH1
SCHEMBL4595191 0.78 ASAH1 (0.44) ALDH1A1PPARGCYP1A2CYP2C9ASAH1
SCHEMBL9898476 0.78 ASAH1 (0.44) ALDH1A1PPARGCYP1A2CYP2C9ASAH1

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 2195/4885KDM4E 4236/4885TP53 238/4885
US-20120077728-A1 FLUID RESERVOIR CD44, VCL, PEF1 ALDH1A1 2195/4885KDM4E 4236/4885TP53 238/4885
US-20120093902-A1 FLUID RESERVOIR CD44, VCL, PEF1 ALDH1A1 2195/4885KDM4E 4236/4885TP53 238/4885

“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.