SCHEMBL21958790

SCHEMBL21958790

CC(=O)c1ccc(O)c(C/C=C\CCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ MAOB P27338 2/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21960082 0.81 HTT (0.57) HTTALDH1A1TOP1PKMPOLB
SCHEMBL16614391 0.75 ADORA3 (0.59) ALDH1A1TOP1KMT2ALMNAMAPK1
SCHEMBL21959257 0.75 TOP1 (0.62) HTTALDH1A1TOP1KMT2ALMNA
SCHEMBL12192031 0.71 ALDH1A1 (0.49) HTTALDH1A1TOP1KMT2ALMNA
SCHEMBL27280748 0.71 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMAPK1L3MBTL1
SCHEMBL24678433 0.71 ALDH1A1 (0.51) ALDH1A1TOP1KMT2ALMNAMAPK1
SCHEMBL16306922 0.71 HTT (0.67) HTTALDH1A1PKMPOLBHSP90AA1
SCHEMBL16295827 0.71 HTT (0.67) HTTALDH1A1PKMPOLBHSP90AA1
SCHEMBL16295828 0.71 HTT (0.67) HTTALDH1A1PKMPOLBHSP90AA1
SCHEMBL4623958 0.70 EPHX2 (0.60) POLBLMNA

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-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT NATIONAL SCIENCE FOUNDATION 2020-04-23 — — 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-20200123197-A1 METHOD OF MAKING A CROSS METATHESIS PRODUCT DUOX2, DUOX1, RNF168 HTT 4420/4885ALDH1A1 1487/4885MAOB 65/4885

“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.

Send feedback