SCHEMBL4050408

SCHEMBL4050408

CCN(C)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
F2 P00734 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
HPGD P15428 2/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL5678485 0.85 LMNA (0.53) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL26045534 0.83 TSHR (0.48) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL1730081 0.82 LMNA (0.53) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL19935331 0.82 LMNA (0.50) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL28686366 0.81 SMN1; SMN2 (0.56) LMNATSHRF2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27431202 0.81 LMNA (0.52) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL26179405 0.80 TSHR (0.46) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL29114267 0.80 CYP1A2 (0.46) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL229327 0.79 TSHR (0.58) LMNATSHRCYP1A2CYP2D6CYP2C19
SCHEMBL11526319 0.79 LMNA (0.50) LMNATSHRCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227649-A1 Management of Ophthalmologic Disorders, Including Macular Degeneration PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-10 US disclosed
US-7566808-B2 Management of ophthalmologic disorders, including macular degeneration PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-28 US disclosed
US-20080176952-A1 Management of Ophthalmologic Disorders, Including Macular Degeneration NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-07-24 US disclosed
US-20060069078-A1 Management of ophthalmologic disorders, including macular degeneration NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-30 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 (3 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-20090227649-A1 Management of Ophthalmologic Disorders, Including Macular Degeneration ALDH1A2, PDE6C, PDE6A LMNA 803/4885TSHR 878/4885CYP1A2 4526/4885
US-20080176952-A1 Management of Ophthalmologic Disorders, Including Macular Degeneration ALDH1A2, PDE6C, PDE6A LMNA 817/4885TSHR 886/4885CYP1A2 4614/4885
US-20060069078-A1 Management of ophthalmologic disorders, including macular degeneration ALDH1A2, PDE6C, PDE6B LMNA 112/4885TSHR 1122/4885CYP1A2 4566/4885

“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.