SCHEMBL9908201

SCHEMBL9908201

CC(=O)SCCCc1cc(C(=O)OCc2ccccc2)n(C(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SYK P43405 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NR1H2 P55055 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCC3 O15438 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
RARG P13631 1/20 0.35
CNR1 P21554 1/20 0.35
OPRK1 P41145 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1I3 Q14994 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
SCHEMBL17231920 0.80 TDP1 (0.43) RAB9ANPC1SYKALDH1A1TDP1
SCHEMBL2512518 0.78 TDP1 (0.41) RAB9ANPC1SYKALDH1A1CYP3A4
SCHEMBL1971320 0.76 TACR1 (0.45) RAB9ANPC1SYKALDH1A1TDP1
SCHEMBL17706815 0.73 MMP9 (0.38) RAB9ANPC1ALDH1A1PPARATDP1
SCHEMBL9908193 0.72 L3MBTL1 (0.39) ALDH1A1L3MBTL1MAPK1
SCHEMBL2508975 0.71 LIPG (0.36) RAB9ANPC1SYKNR1H2NR1H3
SCHEMBL17766688 0.71 MMP9 (0.40) RAB9ANPC1ALDH1A1TDP1KMT2A
SCHEMBL5025502 0.69 NOS1 (0.58) RAB9ANPC1ALDH1A1CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL7432210 0.67 NOS1 (0.56) RAB9ANPC1ALDH1A1CYP2D6CYP2C9
SCHEMBL10225709 0.67 TDP1 (0.48) RAB9ANPC1SYKALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197758-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-8197759-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-7833799-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2010-11-16 US disclosed
US-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES NATIONAL SCIENCE FOUNDATION 2010-08-12 US disclosed
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2010-02-11 US disclosed
US-7582260-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2009-09-01 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 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 (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-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES ACP1, ANXA5, CHAMP1 RAB9A 1698/4885NPC1 4255/4885SYK 4419/4885
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 RAB9A 1171/4885NPC1 4051/4885SYK 4220/4885

“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.