SCHEMBL7072441

SCHEMBL7072441

CCCOc1ccc(-c2c(C=O)ccc(O)c2Cc2cc(C=O)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
ALDH1A1 P00352 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAOB P27338 1/20 0.36
MGAM O43451 4/20 0.35
GAA P10253 4/20 0.35
SI P14410 4/20 0.35
MGAM2 Q2M2H8 4/20 0.35
CES2 O00748 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL7072179 0.83 KDM4E (0.39) ERN1ALDH1A1PTGS2HPGD
SCHEMBL7071776 0.79 ERN1 (0.42) ERN1ALDH1A1MEN1KMT2ALMNA
SCHEMBL19025099 0.72 TYR (0.62) ERN1ALDH1A1PTGS1PTGS2MEN1
SCHEMBL31166228 0.72 ERN1 (0.62) ERN1PTGS1PTGS2MEN1KMT2A
SCHEMBL541949 0.69 ALDH1A1 (0.68) ERN1ALDH1A1PTGS1PTGS2MEN1
SCHEMBL14134159 0.69 ALDH1A1 (0.68) ERN1ALDH1A1PTGS1PTGS2MEN1
SCHEMBL7072437 0.68 ALDH1A1 (0.49) ERN1ALDH1A1PTGS1PTGS2MEN1
SCHEMBL18199319 0.67 ERN1 (0.50) ERN1ALDH1A1MEN1KMT2ALMNA
SCHEMBL12476088 0.67 LTA4H (0.50) ALDH1A1PTGS1PTGS2MEN1KMT2A
SCHEMBL2730132 0.67 ALDH1A1 (0.54) ERN1ALDH1A1PTGS2HPGDGAA

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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML ERN1 3269/4885ALDH1A1 3369/4885PTGS1 563/4885

“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.