SCHEMBL4873672

SCHEMBL4873672

C=C(C)C(=O)C(C)(C)C(C)CCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 4/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 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
SCHEMBL73492 0.83 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4609302 0.80 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13684296 0.80 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11877382 0.78 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28569298 0.78 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1245572 0.76 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19857274 0.75 TSHR (0.36) TSHR
SCHEMBL4886842 0.74 CA2 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8847881 0.74 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10787757 0.74 TDP1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698726-B1 Fiber product treating agent KAO CORP (JP) 2013-10-23 EP disclosed
US-7381345-B2 Fiber product treating agent KAO CORPORATION (JP) 2008-06-03 US disclosed
US-20060198808-A1 Increasing the longevity of perfume contained in a fiber product treating agent by adding a long-chain alkyl- or alkenylamine, amine salt or quaternary ammonium salt in which the chain may be interrupted by a secondary amide group: N-[3-(dimethylamino)propyl]- stearamide or behenamide KAO CORPORATION (JP) 2006-09-07 US disclosed
EP-1698726-A1 Fiber product treating agent Kao Corporation (JP) 2006-09-06 EP 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-20060198808-A1 Increasing the longevity of perfume contained in a fiber product treating agent by adding a long-chain alkyl- or alkenylamine, amine salt or quaternary ammonium salt in which the chain may be interrupted by a secondary amide group: N-[3-(dimethylamino)propyl]- stearamide or behenamide CERT1, FAAH, FAAH2 CHRM1 694/4885AKR1A1 825/4885CHRM3 1005/4885

“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.