SCHEMBL13969445

SCHEMBL13969445

CCOC(=O)C1C=CC=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL27669843 0.88
SCHEMBL28408945 0.82 PPM1B (0.40) ALDH1A1LMNATSHRKDM4EPPM1B
Trifluoromethanesulfonic Acid SCHEMBL30596404 0.81 ALDH1A1 (0.33) ALDH1A1LMNANFKB1NFKB2RELA
SCHEMBL6316661 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNATSHRGAA
SCHEMBL28409269 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNATSHRGAA
SCHEMBL28923743 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNATSHRGAA
SCHEMBL28890926 0.79 ALDH1A1 (0.48) ALDH1A1LMNATSHRHPGD
SCHEMBL28417765 0.76 NAAA (0.50) ALDH1A1LMNATSHRMAPT
SCHEMBL28412004 0.76 NAAA (0.50) ALDH1A1LMNATSHRMAPT
SCHEMBL28412413 0.76 NAAA (0.50) ALDH1A1LMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632744-B Propylene polymerization catalyst, preparation method and application 北京化工大学 2020-05-15 CN disclosed
US-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2009-01-15 US disclosed
US-7399782-B2 Polyether brevetoxin derivatives as a treatment for cystic fibrosis, mucociliary dysfunction, and pulmonary diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2008-07-15 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-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases CFTR, MUC1, SLC47A1 ALDH1A1 3628/4885HSD17B10 3287/4885LMNA 2233/4885

“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.