SCHEMBL3824519

SCHEMBL3824519

CC1(C)C(/C=C/C=C/Nc2ccccc2)=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.41
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
ADORA1 P30542 1/20 0.37
NPY4R P50391 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
TLR8 Q9NR97 1/20 0.35
HRH2 P25021 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL3824520 1.00 FOLH1 (0.41) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL12952135 1.00 FOLH1 (0.41) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL13567292 0.99 FOLH1 (0.42) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL14781528 0.94 MEN1 (0.41) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL3825907 0.94 MEN1 (0.41) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL1941793 0.93 DPP8 (0.38) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL1941795 0.93 DPP8 (0.38) FOLH1DPP8DPP9OPRM1OPRK1
Betaine SCHEMBL3894774 0.90 MEN1 (0.38) FOLH1DPP8DPP9OPRM1OPRK1
SCHEMBL1715259 0.89 HRH2 (0.42) FOLH1DPP8DPP9OPRK1ADORA1
SCHEMBL1715260 0.89 HRH2 (0.42) FOLH1DPP8DPP9OPRK1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180156810-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2018-06-07 US disclosed
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed
EP-2223086-B2 FLUORESCENT COMPOUNDS - LABELING DYES BIOTIUM INC (US) 2016-06-01 EP disclosed
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed
US-9097667-B2 Fluorescent compounds BIOTIUM, INC. (US) 2015-08-04 US disclosed
EP-2223086-B1 FLUORESCENT COMPOUNDS - LABELING DYES BIOTIUM INC (US) 2013-03-20 EP disclosed
EP-2325263-B1 Modified carbocyanine dyes and their conjugates LIFE TECHNOLOGIES CORP (US) 2013-01-23 EP disclosed
US-20090305410-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. (US) 2009-12-10 US disclosed
US-20070178511-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES INVITROGEN CORPORATION (US) 2007-08-02 US disclosed
US-6828116-B1 Energy transfer assay method and reagent AMERSHAM BIOSCIENCES UK LIMITED (GB) 2004-12-07 US disclosed
EP-1086179-B1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES UK LTD (GB) 2003-04-23 EP disclosed
EP-1086179-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT Amersham Pharmacia Biotech UK Ltd. (GB) 2001-03-28 EP disclosed
WO-1999064519-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES CORP (GB) 1999-12-16 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-20070178511-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 FOLH1 1514/4885DPP8 3407/4885DPP9 2507/4885
US-20090305410-A1 FLUORESCENT COMPOUNDS MKI67, CD68, CA5B FOLH1 162/4885DPP8 2380/4885DPP9 2015/4885

“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.