SCHEMBL3179600

SCHEMBL3179600

Nc1cc2ccc3cccc4ccc(c1O)c2c34

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
DNMT1 P26358 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL29831525 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
Pyrene SCHEMBL28151585 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1229467 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL140925 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29362422 0.80 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31298002 0.79 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1899794 0.79 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL23062728 0.78 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL20735846 0.78 CYP1A2 (0.62) CYP1A2ERBB2FYNMAOAACHE
Hydrochloric Acid SCHEMBL10601009 0.78 CYP1A2 (0.55) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667048-B2 Green and orange fluorescent labels and their uses ARIES ASSOCIATES, INC. (US) 2010-02-23 US disclosed
US-20080261235-A1 Novel Green and Orange Fluorescent Labels and Their Uses BHATT RAM 2008-10-23 US disclosed
US-7317111-B2 Green and orange fluorescent labels and their uses ARIES ASSOCIATES, INC. (US) 2008-01-08 US disclosed
EP-1546673-A4 NOVEL GREEN AND ORANGE FLUORESCENT LABELS AND THEIR USES CHROMAGEN INC (US) 2006-08-09 EP disclosed
EP-1546673-A2 NOVEL GREEN AND ORANGE FLUORESCENT LABELS AND THEIR USES CHROMAGEN, INC. (US) 2005-06-29 EP disclosed
US-20040106806-A1 Novel green and orange fluorescent labels and their uses ARIES ASSOCIATES, INC. 2004-06-03 US disclosed
WO-2004027388-A2 NOVEL GREEN AND ORANGE FLUORESCENT LABELS AND THEIR USES CHROMAGEN, INC. (US) 2004-04-01 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 (2 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-20040106806-A1 Novel green and orange fluorescent labels and their uses CD69, ANXA5, ANXA6 CYP1A2 3585/4885ERBB2 320/4885FYN 329/4885
US-20080261235-A1 Novel Green and Orange Fluorescent Labels and Their Uses CD69, ANXA6, ANXA5 CYP1A2 3806/4885ERBB2 532/4885FYN 794/4885

“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.