SCHEMBL8923085

SCHEMBL8923085

O=C(Oc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ABCB1 P08183 5/20 0.49
ABCC1 P33527 4/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 2/20 0.46
PARP10 Q53GL7 1/20 0.46
MEN1 O00255 1/20 0.46
NSD2 O96028 1/20 0.46
KCNMA1 Q12791 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5217851 0.89 CA12 (0.54) ALOX5MAPTTDP1CA12CA1
Benzoic Acid SCHEMBL1897368 0.82 ABCC1 (0.57) MAPTABCB1ABCC1CRHBPCRHR2
SCHEMBL29878741 0.81 CRHBP (0.68) ALOX5MAPTTDP1CA12CA1
SCHEMBL3559913 0.81 CRHBP (0.68) ALOX5MAPTTDP1CA12CA1
SCHEMBL9333093 0.80 KMT2A (0.66) ALOX5MAPTKMT2APARP10SMN1; SMN2
SCHEMBL28537073 0.80 CRHBP (0.66) ALOX5MAPTTDP1CA12CA1
SCHEMBL7169220 0.78 ERN1 (0.64) MAPTCA12CA1CA2CA9
SCHEMBL6938009 0.78 PARP10 (0.69) MAPTTDP1KMT2APARP10MEN1
SCHEMBL4340852 0.77 ERN1 (0.61) MAPTTDP1CA12CA1CA2
SCHEMBL1896315 0.77 MAPT (0.43) ALOX5MAPTTDP1ABCB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100079689-A1 LIQUID CRYSTAL MOLECULE, LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL OPTICAL SPATIAL MODULATION DEVICE SONY CORPORATION (JP) 2010-04-01 US disclosed
US-5658493-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-08-19 US disclosed
US-5637256-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-06-10 US disclosed
US-5543078-A A CHIRAL NONRACEMIC COMPOUND UNIVERSITY RESEARCH CORPORATION (US) 1996-08-06 US disclosed
WO-1992020058-A2 FERROELECTRIC LIQUID CRYSTALS FOR NONLINEAR OPTICS APPLICATIONS UNIVERSITY RESEARCH CORPORATION (US) 1992-11-12 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 (1 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-20100079689-A1 LIQUID CRYSTAL MOLECULE, LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL OPTICAL SPATIAL MODULATION DEVICE CXCR1, CCR3, CXCR5 ALOX5 698/4885MAPT 4317/4885TDP1 4309/4885

“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.