SCHEMBL21880653

SCHEMBL21880653

CC(C)CCCC1c2ccccc2NC1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HTR5A P47898 6/20 0.35
ABCB1 P08183 1/20 0.32
IDO1 P14902 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
SCHEMBL18388633 0.82 HTR5A (0.43) HDAC3HDAC1HDAC2HTR5AIDO1
SCHEMBL6881871 0.78 HDAC3 (0.39) HDAC3HDAC1HDAC2HTR5AABCB1
SCHEMBL6881951 0.76 HDAC3 (0.45) HDAC3HDAC1HDAC2HTR5AABCB1
SCHEMBL6880224 0.76 HDAC3 (0.45) HDAC3HDAC1HDAC2ABCB1
SCHEMBL21887585 0.74 HTR5A (0.40) HDAC3HDAC1HDAC2HTR5A
SCHEMBL14304542 0.74 HTR2A (0.46) HDAC3HDAC1HDAC2HTR5AIDO1
SCHEMBL14095901 0.73 HDAC3 (0.38) HDAC3HDAC1HDAC2HTR5AABCB1
SCHEMBL10248055 0.71 IDO1 (0.60) IDO1
SCHEMBL727320 0.70 HTR2A (0.43) HDAC3HDAC1HDAC2HTR5A
SCHEMBL19114614 0.69 HDAC3 (0.36) HDAC3HDAC1HDAC2HTR5AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 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 (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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP HDAC3 2709/4885HDAC1 2946/4885HDAC2 4503/4885

“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.