SCHEMBL16725017

SCHEMBL16725017

CCC(=O)CCC(C)(CCC(=O)CC)CCC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.33
FFAR3 O14843 1/20 0.33
IAPP P10997 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL12424396 0.83 TDP1 (0.47) TDP1ALDH1A1FFAR3IAPPCES2
SCHEMBL840557 0.81 ALDH1A1 (0.45) TDP1ALDH1A1FFAR3IAPP
SCHEMBL31016294 0.80 TDP1 (0.50) TDP1ALDH1A1FFAR3IAPPCES2
SCHEMBL21078338 0.79 TDP1 (0.43) TDP1ALDH1A1FFAR3IAPPHSD17B10
SCHEMBL27511799 0.79 TDP1 (0.43) TDP1ALDH1A1FFAR3IAPP
SCHEMBL11533113 0.78 ALDH1A1 (0.33) TDP1ALDH1A1LMNAHSD17B10CES2
SCHEMBL17481554 0.77 ACLY (0.42) TDP1ALDH1A1FFAR3
SCHEMBL2184017 0.77 TDP1 (0.41) TDP1ALDH1A1FFAR3
SCHEMBL12344369 0.77 TDP1 (0.41) TDP1
SCHEMBL8896096 0.77 TDP1 (0.41) TDP1ALDH1A1FFAR3LMNAHSD17B10

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-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES PARATEK PHARMACEUTICALS, INC. (US) 2015-05-21 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-20150141381-A1 TETRACYCLINE COMPOUNDS HAVING TARGET THERAPEUTIC ACTIVITIES TBCA, TUBB6, TUBB TDP1 1003/4885ALDH1A1 3992/4885FFAR3 4857/4885

“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.