SCHEMBL1897366

SCHEMBL1897366

O=C(O)c1ccccc1-c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.53
ACMSD Q8TDX5 4/20 0.50
HNF4A P41235 3/20 0.50
MCL1 Q07820 2/20 0.50
DHFR P00374 1/20 0.50
MAPT P10636 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ABCC1 P33527 3/20 0.48
ABCB1 P08183 2/20 0.48
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
EIF4E P06730 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GSTA1 P08263 1/20 0.43

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
SCHEMBL7168661 1.00 KCNMA1 (0.53) KCNMA1ACMSDHNF4AMCL1DHFR
SCHEMBL7053371 0.94 MAPT (0.51) KCNMA1ACMSDHNF4AMCL1DHFR
SCHEMBL29789033 0.84 ALDH1A1 (0.53) MAPTCRHBPCRHR2ALDH1A1TDP1
SCHEMBL19025730 0.84 ALDH1A1 (0.53) MAPTCRHBPCRHR2ALDH1A1TDP1
SCHEMBL3559913 0.83 CRHBP (0.68) KCNMA1ACMSDHNF4AMCL1DHFR
SCHEMBL29878741 0.83 CRHBP (0.68) KCNMA1ACMSDHNF4AMCL1DHFR
SCHEMBL27585698 0.82 CASP6 (0.51) KCNMA1CRHBPCRHR2ALDH1A1TDP1
SCHEMBL28537073 0.82 CRHBP (0.66) KCNMA1ACMSDHNF4AMCL1DHFR
Benzoic Acid SCHEMBL1897368 0.81 ABCC1 (0.57) KCNMA1ACMSDHNF4AMCL1DHFR
SCHEMBL27490847 0.81 ALDH1A1 (0.65) HNF4AMAPTCRHBPCRHR2ALDH1A1

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-8570481-B2 Liquid crystal material, liquid crystal display device, liquid crystal optical space modulation device, and liquid crystal shutter SONY CORPORATION (JP) 2013-10-29 US disclosed
US-20110102731-A1 LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL DISPLAY DEVICE, LIQUID CRYSTAL OPTICAL SPACE MODULATION DEVICE, AND LIQUID CRYSTAL SHUTTER SONY CORPORATION (JP) 2011-05-05 US disclosed
US-20100085531-A1 LIQUID CRYSTAL MOLECULE, LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL OPTICAL SPATIAL MODULATION DEVICE SONY CORPORATION (JP) 2010-04-08 US disclosed
US-6569504-B1 Dimers of LC-like compounds in which the monomers are linked to each other through a high birefringence moiety (dimerization linker) DISPLAYTECH, INC. 2003-05-27 US disclosed
US-6139771-A USEFUL IN ELECTOOPTICAL AND NON-LINEAR OPTICAL APPLICATIONS DISPLAYTECH, INC. (US) 2000-10-31 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-20100085531-A1 LIQUID CRYSTAL MOLECULE, LIQUID CRYSTAL MATERIAL, LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL OPTICAL SPATIAL MODULATION DEVICE CXCR1, CCR3, CXCR2 KCNMA1 1753/4885ACMSD 2152/4885HNF4A 605/4885

“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.