SCHEMBL12901150

SCHEMBL12901150

C[N+]1=C(C(/C=C/C=C2/C(=O)c3ccccc3S2(=O)=O)OO)C(C)(C)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
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
SCHEMBL12901155 0.81 ESR1 (0.32) ESR1ESR2
SCHEMBL12900982 0.71 ESR1 (0.34) ESR1ESR2MEN1KMT2A
SCHEMBL16063117 0.71 ALDH1A1 (0.36) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL12935854 0.65 ESR1 (0.55) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL4496627 0.65 ESR1 (0.48) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2057435 0.65 ESR1 (0.48) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2057166 0.65 ESR1 (0.48) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2057436 0.65 ESR1 (0.48) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL4506557 0.64 HTT (0.52) MEN1KMT2AALDH1A1
SCHEMBL2057334 0.64 HTT (0.52) MEN1KMT2AALDH1A1

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 3815/4885MEN1 4168/4885

“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.