SCHEMBL310748

SCHEMBL310748

CCCCC(CCCCC(=O)OO)NC(=O)c1ccc(C(=O)NC(CCCC)CCCCC(=O)OO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.52
TAS1R1 Q7RTX1 10/20 0.52
MLYCD O95822 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.43
PRSS1 P07477 2/20 0.42
CTSG P08311 2/20 0.42
CTRB1 P17538 2/20 0.42
CMA1 P23946 2/20 0.42
CA2 P00918 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL22747924 0.78 PRSS1 (0.59) TAS1R3TAS1R1MLYCDALDH1A1PRSS1
SCHEMBL24176016 0.78 HTT (0.71) TAS1R3TAS1R1ALDH1A1HTTCA2
SCHEMBL24193420 0.78 TAS1R3 (0.58) TAS1R3TAS1R1MLYCDALDH1A1HPGD
SCHEMBL13375870 0.77 TAS1R3 (0.65) TAS1R3TAS1R1ALDH1A1HPGDHTT
SCHEMBL165896 0.75 PRSS1 (0.61) TAS1R3TAS1R1MLYCDALDH1A1PRSS1
SCHEMBL24119887 0.75 HDAC3 (0.60) TAS1R3TAS1R1MLYCDPRSS1CTSG
SCHEMBL14861180 0.75 ENPP2 (0.61) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL16045114 0.75 HDAC1 (0.72) TAS1R3TAS1R1HDAC3HDAC4HDAC1
SCHEMBL28010260 0.74 TAS1R3 (0.61) TAS1R3TAS1R1MLYCD
SCHEMBL21078080 0.74 TAS1R3 (0.58) TAS1R3TAS1R1ALDH1A1HPGDHTT

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 TAS1R3 3309/4885TAS1R1 3244/4885MLYCD 3557/4885
US-20120077728-A1 FLUID RESERVOIR CD44, VCL, PEF1 TAS1R3 3309/4885TAS1R1 3244/4885MLYCD 3557/4885
US-20120093902-A1 FLUID RESERVOIR CD44, VCL, PEF1 TAS1R3 3309/4885TAS1R1 3244/4885MLYCD 3557/4885

“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.