SCHEMBL1414647

SCHEMBL1414647

O=CC(Br)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
KCNN4 O15554 3/20 0.39
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL5528030 0.91 ALDH1A1 (0.43) ESR1ESR2ALDH1A1KCNN4CYP2A6
SCHEMBL5255832 0.89 ESR1 (0.59) ESR1ESR2ALDH1A1TSHRCYP3A4
SCHEMBL21495110 0.89 KIF11 (0.43) ESR1ESR2ALDH1A1TSHRCYP2A6
SCHEMBL8796837 0.89 KIF11 (0.43) TSHRCYP1A2KMT2AMEN1LMNA
SCHEMBL4015306 0.89 KCNN4 (0.50) ALDH1A1TSHRKCNN4KMT2AMEN1
SCHEMBL10922195 0.82 CYP19A1 (0.47) CYP1A2CYP3A4LMNATDP1
SCHEMBL8813777 0.82 KIF11 (0.50)
Bromide SCHEMBL10923256 0.80 CYP19A1 (0.46) CYP1A2CYP3A4KMT2AMEN1LMNA
SCHEMBL10923959 0.79 MEN1 (0.41) KMT2AMEN1
SCHEMBL548046 0.77 ALDH1A1 (0.43) ESR1ESR2ALDH1A1TSHRKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111683981-B Ketone-containing controllable radical initiator for polymerization 3M创新有限公司 2023-04-25 CN disclosed
CN-111683981-A Ketone-containing controlled radical initiators for polymerization reactions 3M创新有限公司 2020-09-18 CN disclosed
EP-1034221-B1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS LIFE TECHNOLOGIES CORP (US) 2014-05-14 EP disclosed
EP-2295503-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2011-03-16 EP disclosed
EP-2221347-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-08-25 EP disclosed
EP-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 EP disclosed
EP-2179996-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-04-28 EP disclosed
US-7018431-B2 Sulfonated diarylrhodamine dyes APPLERA CORPORATION (US) 2006-03-28 US disclosed
US-20040096397-A1 Sulfonated diarylrhodamine dyes APPLERA CORPORATION (US) 2004-05-20 US disclosed
EP-1408090-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2004-04-14 EP disclosed
EP-1339798-A2 SULFONATED DIARYLRHODAMINE DYES Applera Corporation (US) 2003-09-03 EP disclosed
US-6583168-B1 Fluorescent labels of nucleosides, nucleotides, polynucleotides, and polypeptides in nucleic acid analysis APPLERA CORPORATION 2003-06-24 US disclosed
WO-2002044416-A2 SULFONATED DIARYLRHODAMINE DYES AS FLUORESCENT LABELS APPLERA CORPORATION (US) 2002-06-06 WO disclosed
EP-0656893-B1 PHOTOCHROMIC OXAZINE COMPOUNDS RODENSTOCK OPTIK G (DE) 2001-12-12 EP disclosed
EP-1034221-A1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS THE PERKIN-ELMER CORPORATION (US) 2000-09-13 EP disclosed
US-6051719-A FLUORESCENT LABELING REAGENTS THE PERKIN-ELMER CORPORATION (US) 2000-04-18 US disclosed
WO-1999027020-A1 DIBENZORHODAMINE DYES USEFUL AS FLOURESCENT LABELLING AGENTS THE PERKIN-ELMER CORPORATION (US) 1999-06-03 WO disclosed
US-5801243-A REACTING A SUBSTITUTED ALDEHYDE WITH A SUBSTITUTED ORTHO-AMINO-HYDROXY AROMATIC COMPOUND OPTISCHE WERKE G. RODENSTOCK (DE) 1998-09-01 US disclosed
EP-0656893-A1 PHOTOCHROMIC OXAZINE COMPOUNDS Optische Werke G. Rodenstock (DE) 1995-06-14 EP disclosed
WO-1995000500-A1 PHOTOCHROMIC OXAZINE COMPOUNDS OPTISCHE WERKE G. RODENSTOCK (DE) 1995-01-05 WO 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-20040096397-A1 Sulfonated diarylrhodamine dyes POLL, DUT, DPYD ESR1 2974/4885ESR2 3028/4885ALDH1A1 2097/4885

“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.