SCHEMBL5859261

SCHEMBL5859261

CC(OCC1CO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL28419865 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL28482698 0.98 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL4369287 0.86 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL6911632 0.81 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL11861636 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28359120 0.75 TSHR (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL28362812 0.75 TSHR (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL1071671 0.74 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL65693 0.72 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL6243102 0.71 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028412-B Perfluoro-substituted micromolecule end group diol and preparation method and application thereof 南京信息工程大学 2021-11-30 CN disclosed
US-20060235193-A1 Biocompatible materials and probes YALPANI MANSSUR 2006-10-19 US disclosed
US-7090829-B2 Antitumor agnets; anticancer agents; antidiabetic agents CARBOMER, INC. (US) 2006-08-15 US disclosed
US-7030208-B2 Biocompatible materials and probes CARBOMER, INC. (US) 2006-04-18 US disclosed
US-20030199687-A1 Biocompatible materials and probes CARBOMER, INC. 2003-10-23 US disclosed
WO-2003087165-A2 BIOCOMPATIBLE MATERIALS AND PROBES CARBOMER, INC. (US) 2003-10-23 WO disclosed
WO-2003086474-A2 FLUORINATED OR PARAMAGNETIC ALGINATE POLYMER, ANNEXIN PARAMAGNETIC CONJUGATE, AND THEIR USE AS CONTRASTING AGENT IN MRI CARBOMER, INC (US) 2003-10-23 WO disclosed
US-20030198599-A1 Novel imaging probes CARBOMER, INC. 2003-10-23 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-20030198599-A1 Novel imaging probes MPI, MIA3, PITPNB ALDH1A1 3450/4885TSHR 3650/4885MAPK1 3945/4885

“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.