SCHEMBL994480

SCHEMBL994480

[CH2]OCC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CASR P41180 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL299909 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL299908 0.84 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL12932112 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL21240 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL21239 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL12932150 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL291947 0.81 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL291949 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL4067427 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2
SCHEMBL291948 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247927-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-12-10 WO claimed
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END THE UNIVERSITY OF TOKYO (JP) 2011-01-13 US claimed
EP-2270142-A1 METHOD OF PREPARING DNA FRAGMENT HAVING STICKY END The University of Tokyo (JP) 2011-01-05 EP claimed
US-20220251639-A1 OLIGONUCLEOTIDE, OMICS ANALYSIS METHOD, AND OMICS ANALYSIS KIT KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-08-11 US disclosed
US-20220162687-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2022-05-26 US disclosed
EP-3974528-A1 OLIGONUCLEOTIDE, OMICS ANALYSIS METHOD, AND OMICS ANALYSIS KIT Kyushu University, National University Corporation (JP) 2022-03-30 EP disclosed
WO-2020247927-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-12-10 WO disclosed
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END THE UNIVERSITY OF TOKYO (JP) 2011-01-13 US disclosed
EP-2270142-A1 METHOD OF PREPARING DNA FRAGMENT HAVING STICKY END The University of Tokyo (JP) 2011-01-05 EP 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-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END POLB, POLL, POLN ALDH1A1 2795/4885CYP1A2 4089/4885TSHR 1820/4885

“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.