SCHEMBL6894883

SCHEMBL6894883

COc1cccc(C(OC(=O)CCl)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL5583431 0.87 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6894341 0.85 CYP1A2 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5583391 0.78 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5583285 0.75 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5583404 0.74 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6896387 0.74 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6890069 0.73 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2029343 0.72 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3291004 0.71 CYP1A2 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6895354 0.71 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 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-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK ALDH1A1 2920/4885MAPT 949/4885MEN1 2062/4885

“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.