SCHEMBL3477755

SCHEMBL3477755

CCCCCCc1ccc([Sn](CCCC)(CCCC)CCCC)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PTGS2 P35354 4/20 0.43
PTGS1 P23219 2/20 0.43
ALOX5 P09917 2/20 0.43
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.36
ELANE P08246 3/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 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
SCHEMBL11907411 0.91 PTGS1 (0.48) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL17372500 0.84 ALOX5 (0.32) PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL8921829 0.83 EPHX2 (0.57) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL16753020 0.83 EPHX2 (0.57) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL30889345 0.83 EPHX2 (0.57) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL3924849 0.83 EPHX2 (0.57) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL10878735 0.83 EPHX2 (0.57) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL3394938 0.81 EPHX2 (0.54) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL20860694 0.79 EPHX2 (0.54) EPHX2PTGS2PTGS1ALOX5MAPT
SCHEMBL12194495 0.79 EPHX2 (0.54) EPHX2PTGS2PTGS1ALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257601-B1 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2019-04-10 EP disclosed
US-9716240-B2 High molecular extinction coefficient metal dyes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-25 US disclosed
US-20110062541-A1 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES Changchun Applied Chemistry Institute of Chinese Academy of Sciences (CN) 2011-03-17 US disclosed
EP-2257601-A2 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2010-12-08 EP disclosed
WO-2009107100-A2 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2009-09-03 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-20110062541-A1 HIGH MOLECULAR EXTINCTION COEFFICIENT METAL DYES ANXA5, TRPM5, EPCAM EPHX2 4336/4885PTGS2 3111/4885PTGS1 3723/4885

“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.