SCHEMBL21969903

SCHEMBL21969903

CCNCC(O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.44
VDR P11473 1/20 0.37
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
GALR3 O60755 1/20 0.33
PGD P52209 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
SCHEMBL21905690 0.80 TSHR (0.46) TSHRVDRPKM
SCHEMBL29854834 0.77 PKM (0.60) TSHRKDM4ETP53PKMLMNA
SCHEMBL17778025 0.77 PKM (0.60) TSHRKDM4ETP53PKMLMNA
SCHEMBL11922792 0.77 PKM (0.48) TSHRVDRPKM
SCHEMBL6566706 0.75 PKM (0.41) TSHRVDRPKM
SCHEMBL24475270 0.73 TSHR (0.39) TSHRVDRPKM
SCHEMBL27414986 0.73 TSHR (0.39) TSHRVDRPKM
SCHEMBL12967296 0.72
SCHEMBL20331107 0.72 TP53 (0.39) KDM4ETP53
SCHEMBL15510196 0.71 KDM4E (0.67) TSHRKDM4ETP53LMNAHIF1A

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-20200140463-A1 METAL ALKOXIDE COMPOUND, THIN FILM FORMING RAW MATERIAL, AND THIN FILM PRODUCTION METHOD ADEKA CORPORATION (JP) 2020-05-07 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-20200140463-A1 METAL ALKOXIDE COMPOUND, THIN FILM FORMING RAW MATERIAL, AND THIN FILM PRODUCTION METHOD TMEM109, AGPAT5, ALKBH5 TSHR 4504/4885KDM4E 964/4885VDR 4881/4885

“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.