SCHEMBL5596715

SCHEMBL5596715

CCCC(=O)SC1CC[CH]CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL5597146 0.80 CES2 (0.33) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL5596738 0.73 CYP1A1 (0.32)
SCHEMBL10678156 0.65 NAAA (0.56) NAAA
SCHEMBL14593770 0.65 GNAI3 (0.40) NAAACES2CES1
SCHEMBL27467174 0.64 CES2 (0.30) CES2CES1
SCHEMBL5597117 0.63
Acetic Acid SCHEMBL28220122 0.61 CYP1A2 (0.47) NAAA
SCHEMBL8712062 0.61 CES2 (0.50) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL10938265 0.61 CES2 (0.50) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL737289 0.60 SPHK2 (0.41) NAAACES2CES1

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A NAAA 2614/4885CES2 2885/4885CES1 2313/4885

“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.