SCHEMBL21998657

SCHEMBL21998657

CCCCCCCCCC(=O)NCCCc1ccc2c(c1)OCO2

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.66
HDAC3 O15379 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
TRPV1 Q8NER1 3/20 0.58
GPR119 Q8TDV5 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 1/20 0.56
HDAC8 Q9BY41 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL9425794 0.92 TRPV1 (0.62) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL9425705 0.90 TRPV1 (0.60) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL9425938 0.89 KMT2A (0.60) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL13493055 0.87 MAPT (0.64) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL12980467 0.86 TRPV1 (0.65) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL21998935 0.86 TRPV1 (0.65) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL21998898 0.86 TRPV1 (0.65) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL17770653 0.86 TRPV1 (0.65) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL21998891 0.86 TRPV1 (0.65) HDAC1HDAC3HDAC2HDAC6TRPV1
SCHEMBL10421297 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC6TRPV1

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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH HDAC1 676/4885HDAC3 310/4885HDAC2 973/4885

“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.