SCHEMBL7693105

SCHEMBL7693105

CCC(=O)CCOCCC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 5/20 0.39
FFAR3 O14843 2/20 0.35
TSHR P16473 3/20 0.33
IAPP P10997 2/20 0.33
SOAT1 P35610 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
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
SCHEMBL20848180 0.97 TDP1 (0.47) TDP1ALDH1A1FFAR3TSHRIAPP
SCHEMBL9940199 0.92 TDP1 (0.43) TDP1ALDH1A1FFAR3TSHRIAPP
SCHEMBL19396416 0.90 TSHR (0.48) TDP1ALDH1A1TSHR
SCHEMBL15119310 0.90 ALDH1A1 (0.41) TDP1ALDH1A1TSHRCES2
SCHEMBL16298785 0.90 TDP1 (0.41) TDP1ALDH1A1FFAR3TSHRCES2
SCHEMBL11763603 0.89
SCHEMBL15223139 0.88 TDP1 (0.39) TDP1ALDH1A1
SCHEMBL19704889 0.88 ALDH1A1 (0.39) TDP1ALDH1A1TSHRCES2
SCHEMBL15223140 0.88 TDP1 (0.39) TDP1ALDH1A1TSHR
SCHEMBL19704866 0.88 ALDH1A1 (0.39) TDP1ALDH1A1TSHRCES2

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
CN-114660299-A Biomarker and kit for diagnosing or preventing liver injury and application of biomarker and kit 中南大学 2022-06-24 CN claimed
CN-114910571-A Method and system for online analyzing sulfur-containing compounds in gas by flame photometry 中国石油天然气股份有限公司 2022-08-16 CN disclosed
US-20020042407-A1 Antiinflammatory agents; respiratory system disorders DUKE UNIVERSITY 2002-04-11 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-20020042407-A1 Antiinflammatory agents; respiratory system disorders LPO, PRDX5, MPO TDP1 2647/4885ALDH1A1 770/4885FFAR3 992/4885

“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.