SCHEMBL4892209

SCHEMBL4892209

CCC(O)(CC)CCC(O)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FDPS P14324 1/20 0.36
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL191751 0.88
SCHEMBL12778798 0.87 TSHR (0.41) ALDH1A1FDPSTSHRTDP1
Water SCHEMBL26643057 0.85 FDPS (0.39) ALDH1A1FDPS
SCHEMBL26103975 0.85 FDPS (0.35) ALDH1A1FDPS
Ammonia Solution, Strong SCHEMBL2471319 0.85 FDPS (0.39) ALDH1A1FDPS
SCHEMBL22032 0.82
Hydrochloric Acid SCHEMBL28606232 0.82 FDPS (0.38) ALDH1A1FDPS
SCHEMBL1674824 0.82
SCHEMBL12043115 0.82 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL309174 0.80 FDPS (0.41) ALDH1A1FDPSTSHRTDP1

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-10399931-B2 Octahydroanthracene compound, preparation method and application thereof SHANDONG XINHUA PHARMACEUTICAL CO., LTD. (CN) 2019-09-03 US claimed
US-20190071393-A1 Octahydroanthracene Compound, Preparation Method and Application Thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2019-03-07 US claimed
US-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10399931-B2 Octahydroanthracene compound, preparation method and application thereof ODC1, OTC, TMT1A ALDH1A1 152/4885FDPS 183/4885TSHR 2197/4885
US-20190071393-A1 Octahydroanthracene Compound, Preparation Method and Application Thereof ODC1, OTC, TMT1A ALDH1A1 152/4885FDPS 183/4885TSHR 2197/4885

“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.