SCHEMBL3799136

SCHEMBL3799136

CC(C)COC(=O)N(CCCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
FOLH1 Q04609 3/20 0.41
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4782715 0.92 HTT (0.45) HTTALDH1A1CCR6PAX8FOLH1
SCHEMBL5033581 0.84 HTT (0.52) HTTALDH1A1CCR6PAX8TSHR
SCHEMBL6560598 0.80 HTT (0.54) HTTALDH1A1CCR6PAX8MAPK1
SCHEMBL28113740 0.80 HTT (0.49) HTTALDH1A1CCR6PAX8FOLH1
SCHEMBL393422 0.78 HTT (0.52) HTTALDH1A1CCR6PAX8FOLH1
SCHEMBL11425197 0.76 CCR6 (0.54) HTTALDH1A1CCR6PAX8TSHR
SCHEMBL22899928 0.76 CCR6 (0.52) ALDH1A1CCR6PAX8TSHRMAPK1
SCHEMBL2907538 0.76 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1SLC6A3
Phenylbutanoic Acid SCHEMBL29015977 0.75 SMN1; SMN2 (0.64) ALDH1A1TSHRHDAC3MAPK1ADRA1A
SCHEMBL25526046 0.75 ALDH1A1 (0.49) ALDH1A1CCR6PAX8TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226987-A1 TARGETING CONJUGATES COMPRISING ACTIVE AGENTS ENCAPSULATED IN CYCLODEXTRIN-CONTAINING POLYMERS CAPSUTECH LTD. (IL) 2010-09-09 US disclosed
US-20080275139-A1 Cyclodextrin-Containing Polymers and Uses Thereof CAPSUTECH LTD. (IL) 2008-11-06 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 (2 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-20100226987-A1 TARGETING CONJUGATES COMPRISING ACTIVE AGENTS ENCAPSULATED IN CYCLODEXTRIN-CONTAINING POLYMERS SDCBP, LNPEP, CD47 HTT 3195/4885ALDH1A1 3805/4885CCR6 236/4885
US-20080275139-A1 Cyclodextrin-Containing Polymers and Uses Thereof IAPP, RNGTT, DDOST HTT 1714/4885ALDH1A1 4853/4885CCR6 139/4885

“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.