SCHEMBL6896387

SCHEMBL6896387

COc1ccc(C(OC(=O)C(Cl)(Cl)Cl)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 4/20 0.39
MAPK1 P28482 3/20 0.39
GAA P10253 1/20 0.39
RAF1 P04049 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
GLA P06280 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL5583271 0.88 CYP1A2 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL5583431 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL2029343 0.86 MAPT (0.46) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL6890069 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL2029622 0.80 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL2028883 0.78 LMNA (0.45) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL5583367 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL5583481 0.76 TSHR (0.40) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL2034196 0.76 FBP1 (0.40) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A
SCHEMBL5583370 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKMT2ARAB9A

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 2920/4885SMN1; SMN2 1085/4885HPGD 4227/4885

“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.