SCHEMBL12636637

SCHEMBL12636637

CCCCCC(C)Oc1ccc(-c2ccc(OC(=O)c3ccc(OC[Si](C)(C)O[Si](C)(C)C)cc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.40
XDH P47989 2/20 0.37
NPC1 O15118 4/20 0.37
LMNA P02545 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
PRSS1 P07477 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
SCHEMBL3272113 0.91 PLA2G4B (0.45) PLA2G4BXDHNPC1LMNACYP1A2
SCHEMBL4276574 0.91 PLA2G4B (0.45) PLA2G4BXDHNPC1LMNACYP1A2
SCHEMBL4271615 0.90 PLA2G4B (0.46) PLA2G4BXDHNPC1LMNACYP1A2
SCHEMBL29382893 0.88 PLA2G4B (0.52) PLA2G4BNPC1LMNACYP1A2CYP3A4
SCHEMBL4270500 0.88 PLA2G4B (0.52) PLA2G4BNPC1LMNACYP1A2CYP3A4
SCHEMBL8924412 0.88 PLA2G4B (0.52) PLA2G4BNPC1LMNACYP1A2CYP3A4
SCHEMBL3277481 0.87 MAPT (0.40) PLA2G4BXDHSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7171414 0.86 PLA2G4B (0.44) PLA2G4BXDHNPC1LMNASMN1; SMN2
SCHEMBL1877602 0.84 PLA2G4B (0.46) PLA2G4BXDHNPC1LMNACYP1A2
SCHEMBL7167527 0.83 PLA2G4B (0.53) PLA2G4BNPC1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935395-B2 Liquid crystal molecule, liquid crystal display device and liquid crystal optical spatial modulation device SONY CORPORATION (JP) 2011-05-03 US disclosed
US-20100085530-A1 LIQUID CRYSTAL MOLECULE, LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL OPTICAL SPATIAL MODULATION DEVICE SONY CORPORATION (JP) 2010-04-08 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 (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-20100085530-A1 LIQUID CRYSTAL MOLECULE, LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL OPTICAL SPATIAL MODULATION DEVICE CXCR1, CXCR5, CXCR2 PLA2G4B 2161/4885XDH 61/4885NPC1 2781/4885

“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.