SCHEMBL12901145

SCHEMBL12901145

O=S1(=O)C(/C=C/C=C/c2cc[n+](O)cc2)=C(O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MIF P14174 1/20 0.31
MAOB P27338 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12901032 0.88 CHAT (0.41) GPR3ESR1ESR2KDM4EMAPT
SCHEMBL12901133 0.82 CHAT (0.47) GPR3ESR1ESR2KDM4EMAPT
SCHEMBL7473289 0.78 GPR3 (0.44) GPR3ESR1ESR2KDM4EMAPT
SCHEMBL7473284 0.78 GPR3 (0.44) GPR3ESR1ESR2KDM4EMAPT
SCHEMBL12901031 0.74
SCHEMBL12715302 0.72 ESR1 (0.49) GPR3ESR1ESR2KDM4EMAPT
SCHEMBL4567101 0.71 ESR1 (0.51) GPR3ESR1ESR2MIFKMT2A
SCHEMBL13019511 0.71 ESR1 (0.51) GPR3ESR1ESR2MIFKMT2A
SCHEMBL7467947 0.71 GPR3 (0.50) GPR3ESR1ESR2MIFKMT2A
SCHEMBL8792998 0.69 GPR3 (0.33) GPR3ESR1ESR2

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 GPR3 3232/4885ESR1 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.