SCHEMBL22007746

SCHEMBL22007746

CCC(CCCCCl)CS(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 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
SCHEMBL22007758 0.98 ALDH1A1 (0.37) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL22007762 0.98 ALDH1A1 (0.37) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL22007750 0.93 ALDH1A1 (0.33) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL22007755 0.84
SCHEMBL22007707 0.79 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL20903956 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL22007733 0.76
SCHEMBL18184497 0.75 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL7861491 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CYP3A4
SCHEMBL22008369 0.73 LMNA (0.35) ALDH1A1TSHR

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-20200157317-A1 SULFUR CONTAINING ORGANOSILICON COMPOUND AND RESIN COMPOSITION KURARAY CO., LTD. (JP) 2020-05-21 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-20200157317-A1 SULFUR CONTAINING ORGANOSILICON COMPOUND AND RESIN COMPOSITION MSRB3, RPS6, SEM1 ALDH1A1 2255/4885TSHR 3119/4885TDP1 4291/4885

“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.