SCHEMBL14218374

SCHEMBL14218374

C=CC(O)c1cc(OCCCC)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.42
PLA2G4B P0C869 1/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SIRT5 Q9NXA8 2/20 0.39
RAF1 P04049 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL13900800 0.84 MAPT (0.55) MAPTLMNAALDH1A1TLR4TLR2
SCHEMBL8501492 0.84 MAPT (0.37) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL20921416 0.83 AKR1C3 (0.44) MAPTLMNAALDH1A1MAPK1NPC1
SCHEMBL5960188 0.81 CA12 (0.49) MAPTLMNAKMT2AMEN1SIRT5
SCHEMBL5139856 0.81 BACE1 (0.50) MAPTLMNATLR4TLR2KMT2A
SCHEMBL14191569 0.81 BACE1 (0.50) MAPTLMNATLR4TLR2KMT2A
SCHEMBL16950814 0.78 MAPT (0.58) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL14218373 0.77 MAPT (0.52) MAPTLMNAALDH1A1TLR4TLR2
SCHEMBL13900803 0.76 MAPT (0.57) MAPTLMNAALDH1A1TLR4TLR2
SCHEMBL13657379 0.76 TSHR (0.51) MAPTALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378505-B1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS YAKULT HONSHA KK (JP) 2014-11-05 EP disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2007-01-11 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-20070010674-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A MAPT 2348/4885LMNA 2099/4885ALDH1A1 613/4885

“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.