SCHEMBL6890069

SCHEMBL6890069

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 3/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 1/20 0.40
RAF1 P04049 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
PTPN1 P18031 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 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
SCHEMBL6894457 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6896387 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5583370 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5583434 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28555839 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5595476 0.74 CYP1A2 (0.56) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3291004 0.74 CYP1A2 (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6895354 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7802203 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3689755 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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.