SCHEMBL12354562

SCHEMBL12354562

N#Cc1cccc(C(=O)OCCCCl)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
TDP1 Q9NUW8 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.45
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
VNN1 O95497 3/20 0.43
TYMS P04818 1/20 0.43
SERPINE1 P05121 1/20 0.43
MEN1 O00255 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL12586951 0.95 TDP1 (0.51) GSK3BTDP1MRGPRX4KMT2ANPC1
SCHEMBL12112460 0.94 GSK3B (0.50) GSK3BTDP1MRGPRX4KMT2ANPC1
SCHEMBL12586966 0.94 GSK3B (0.50) GSK3BTDP1MRGPRX4KMT2ANPC1
SCHEMBL12587254 0.92 GSK3B (0.54) GSK3BTDP1MRGPRX4KMT2AVNN1
SCHEMBL12587048 0.87 GSK3B (0.49) GSK3BTDP1MRGPRX4KMT2AVNN1
SCHEMBL18668838 0.85 TDP1 (0.53) GSK3BTDP1KMT2ANPC1TYMS
SCHEMBL14919190 0.85 L3MBTL1 (0.55) GSK3BTDP1NPC1
SCHEMBL31575868 0.84 LMNA (0.55) GSK3BTDP1NPC1
SCHEMBL18668872 0.84 TDP1 (0.51) GSK3BTDP1TYMS
SCHEMBL31575874 0.83 LMNA (0.60) GSK3BTDP1KMT2ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998542-B2 Composition, retardation plate, liquid-crystal display device, and method for producing retardation plate FUJIFILM CORPORATION (JP) 2011-08-16 US disclosed
US-7998542-B2 Composition, retardation plate, liquid-crystal display device, and method for producing retardation plate FUJIFILM CORPORATION (JP) 2011-08-16 US disclosed
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-20090174844-A1 Composition, Retardation Plate, Liquid-Crystal Display Device, and Method for Producing Retardation Plate FUJIFILM CORPORATION (JP) 2009-07-09 US disclosed
US-20090174844-A1 Composition, Retardation Plate, Liquid-Crystal Display Device, and Method for Producing Retardation Plate FUJIFILM CORPORATION (JP) 2009-07-09 US disclosed
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND FUJIFILM CORPORATION (JP) 2009-03-12 US disclosed
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND FUJIFILM CORPORATION (JP) 2009-03-12 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-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND H1-2, H1-0, CCNL2 GSK3B 814/4885TDP1 2318/4885MRGPRX4 1962/4885
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE PYM1, CCNA1, CCND1 GSK3B 1819/4885TDP1 3752/4885MRGPRX4 3612/4885

“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.