SCHEMBL5583431

SCHEMBL5583431

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
MAPT P10636 10/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
FBP1 P09467 1/20 0.38
POLB P06746 1/20 0.38
OPRK1 P41145 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 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
SCHEMBL6896387 0.88 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5583404 0.87 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6894883 0.87 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2029343 0.86 MAPT (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5583271 0.85 CYP1A2 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2029622 0.80 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2028883 0.78 LMNA (0.45) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5583391 0.78 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5583481 0.76 TSHR (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2034278 0.75 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 US disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO 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.