SCHEMBL12901155

SCHEMBL12901155

CC1(C)c2ccccc2-[n+]2ccc(C(/C=C/C=C3\C(=O)c4ccccc4S3(=O)=O)OO)cc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL12901150 0.81 ESR1 (0.35) ESR1ESR2
SCHEMBL12901156 0.71
SCHEMBL16063117 0.69 ALDH1A1 (0.36) ESR1ESR2
SCHEMBL12900982 0.67 ESR1 (0.34) ESR1ESR2
SCHEMBL2057342 0.63 HTT (0.52)
SCHEMBL2057334 0.63 HTT (0.52)
SCHEMBL4506557 0.63 HTT (0.52)
SCHEMBL2057338 0.63 HTT (0.52)
SCHEMBL12935854 0.62 ESR1 (0.55) ESR1ESR2
SCHEMBL2057166 0.61 ESR1 (0.48) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 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-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE ESR1 3063/4885ESR2 3815/4885

“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.