SCHEMBL21998933

SCHEMBL21998933

CCCCCCCCC(=O)NCc1ccc(C(=O)OCC)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
EPHX2 P34913 3/20 0.63
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
STS P08842 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
CNR1 P21554 1/20 0.57
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
FAAH O00519 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL3809498 0.85 EPHX2 (0.84) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787431 0.83 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787405 0.83 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL21998923 0.83 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10741431 0.83 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787358 0.83 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787410 0.83 EPHX2 (0.75) EPHX2HDAC3HDAC4HDAC1HDAC7
Nonivamide SCHEMBL3859273 0.82 CYP1A2 (0.75) TRPV1HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL9787468 0.82 EPHX2 (0.73) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9787397 0.81 EPHX2 (0.72) EPHX2HDAC3HDAC4HDAC1HDAC7

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 HTT 4/4885EPHX2 2131/4885HDAC3 310/4885

“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.