SCHEMBL20968366

SCHEMBL20968366

CCOC(=O)c1cc([N+](=O)[O-])ccc1CCl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CACNA1C Q13936 2/20 0.45
CACNA1F O60840 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
AR P10275 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7665374 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL550921 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1
SCHEMBL13280233 0.86 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL10514258 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL20968303 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL7723906 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL4420346 0.83 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL550516 0.82 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMAPTTDP1
SCHEMBL17737227 0.82 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMAPTARMEN1
SCHEMBL14114749 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMAPTNPC1

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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
US-20190127643-A1 LIQUID CRYSTAL ALIGNING AGENT FOR PHOTOALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING IT, AND DIAMINE AND POLYMER JNC CORPORATION (JP) 2019-05-02 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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 SMN1; SMN2 3082/4885ALDH1A1 2734/4885KMT2A 523/4885

“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.