SCHEMBL17320101

SCHEMBL17320101

CCCC(CCC)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ACHE P22303 1/20 0.40
CYP19A1 P11511 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL21732183 0.93 OPRM1 (0.42) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL19003606 0.92 AOC3 (0.41) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL19002873 0.91 OPRM1 (0.39) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL18647927 0.90 OPRM1 (0.38) AOC3
SCHEMBL7538162 0.89 SLC6A2 (0.43) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL7538156 0.89 AOC3 (0.39) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL21555784 0.85 OPRM1 (0.39) AOC3
SCHEMBL19101512 0.85 OPRM1 (0.39) AOC3
SCHEMBL21555772 0.84 OPRM1 (0.41) AOC3
SCHEMBL10311198 0.83 AOC3 (0.45) AOC3HDAC4HDAC7HDAC5IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200296966-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS AGROFRESH INC (US) 2020-09-24 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 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-20200296966-A1 VOLATILE APPLICATIONS AGAINST PATHOGENS OXA1L, VAPB, TIAL1 AOC3 322/4885HDAC4 1669/4885HDAC7 1881/4885

“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.