SCHEMBL3746774

SCHEMBL3746774

ICC1COC(CI)CO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL3746769 1.00 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTP53HBB
SCHEMBL16850660 0.96
SCHEMBL588229 0.96
SCHEMBL6901835 0.96
SCHEMBL22119755 0.86 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL22119050 0.86 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL8618064 0.78
SCHEMBL711247 0.76
SCHEMBL21766164 0.76
SCHEMBL2305227 0.76

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-109666158-B Hybrid dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-04-07 CN disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
EP-2704712-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS AbbVie Inc. (US) 2014-03-12 EP disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 WO disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO 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 (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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 ALDH1A1 176/4885TDP1 3622/4885TSHR 3027/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 ALDH1A1 176/4885TDP1 3622/4885TSHR 3027/4885

“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.