SCHEMBL5334498

SCHEMBL5334498

Sc1nnc(C2CCCCC2)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
AVPR1A P37288 1/20 0.42
VCP P55072 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 1/20 0.39

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
SCHEMBL21045356 0.92 HTT (0.51) ALDH1A1ALOX15HTTHSD17B10L3MBTL1
SCHEMBL6406092 0.83 MEN1 (0.46) ALDH1A1HTTRAB9AVCPMEN1
SCHEMBL1816886 0.79 AVPR1A (0.49) ALDH1A1ALOX15HTTHSD17B10MAPK1
SCHEMBL12892262 0.75 AVPR1A (0.45) ALDH1A1ALOX15HTTHSD17B10MAPK1
SCHEMBL11460990 0.74 MEN1 (0.45) ALDH1A1HTTHSD17B10MAPK1L3MBTL1
SCHEMBL4212102 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10RAB9AAVPR1ANPSR1
SCHEMBL20514023 0.72 APLNR (0.48) HSD17B10MAPK1
SCHEMBL22404799 0.71 AVPR1A (0.66) ALDH1A1ALOX15HTTHSD17B10L3MBTL1
SCHEMBL10012190 0.71 GAA (0.58) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL11537005 0.70 HCAR1 (0.47) ALDH1A1ALOX15HTTHSD17B10AVPR1A

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
EP-2141206-B1 Novel compound, polymerizable composition, color filter and production method thereof, solid-state imaging device, and planographic printing plate precursor FUJIFILM CORP (JP) 2014-12-03 EP disclosed
US-8846277-B2 Compound, polymerizable composition, color filter, and method of producing the same, solid-state imaging device, and planographic printing plate precursor FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-8846277-B2 Compound, polymerizable composition, color filter, and method of producing the same, solid-state imaging device, and planographic printing plate precursor FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-8728686-B2 Photosensitive compositions, curable compositions, novel compounds, photopolymerizable compositions, color filters, and planographic printing plate precursors FUJIFILM CORPORATION (JP) 2014-05-20 US disclosed
US-8728686-B2 Photosensitive compositions, curable compositions, novel compounds, photopolymerizable compositions, color filters, and planographic printing plate precursors FUJIFILM CORPORATION (JP) 2014-05-20 US disclosed
US-8703366-B2 2014-04-22 US disclosed
US-8703366-B2 2014-04-22 US disclosed
US-20110267714-A1 NOVEL COMPOUND, POLYMERIZABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME, SOLID-STATE IMAGING DEVICE, AND PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
US-20110267714-A1 NOVEL COMPOUND, POLYMERIZABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME, SOLID-STATE IMAGING DEVICE, AND PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
US-20090023085-A1 Photosensitive Compositions, Curable Compositions, Novel Compounds, Photopolymerizable Compositions, Color Filters, and Planographic Printing Plate Precursors FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
US-20090023085-A1 Photosensitive Compositions, Curable Compositions, Novel Compounds, Photopolymerizable Compositions, Color Filters, and Planographic Printing Plate Precursors FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 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-20110267714-A1 NOVEL COMPOUND, POLYMERIZABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME, SOLID-STATE IMAGING DEVICE, AND PLANOGRAPHIC PRINTING PLATE PRECURSOR SPOP, SMCHD1, PPOX ALDH1A1 1491/4885ALOX15 2243/4885HTT 1987/4885
US-20090023085-A1 Photosensitive Compositions, Curable Compositions, Novel Compounds, Photopolymerizable Compositions, Color Filters, and Planographic Printing Plate Precursors RB1, MC1R, TYR ALDH1A1 512/4885ALOX15 3638/4885HTT 3573/4885

“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.