SCHEMBL21999296

SCHEMBL21999296

CCN=C(C)C(CC)(CC)OC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21984261 0.81 TSHR (0.32) TSHR
SCHEMBL21998639 0.79
SCHEMBL21998632 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL21998633 0.74 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL21984262 0.74 TSHR (0.32) TSHR
SCHEMBL18560269 0.74
SCHEMBL21983957 0.68
SCHEMBL21999293 0.67
SCHEMBL18544149 0.67
SCHEMBL18544148 0.67

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-20200148706-A1 METAL ALKOXIDE COMPOUND, THIN-FILM-FORMING RAW MATERIAL AND METHOD OF PRODUCING THIN FILM ADEKA CORPORATION (JP) 2020-05-14 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-20200148706-A1 METAL ALKOXIDE COMPOUND, THIN-FILM-FORMING RAW MATERIAL AND METHOD OF PRODUCING THIN FILM RAB35, ALKBH5, GDI2 ALDH1A1 4140/4885TSHR 959/4885TDP1 1878/4885

“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.