SCHEMBL3219973

SCHEMBL3219973

CC(/C=C/C(=O)O)=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ FBP1 P09467 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAOB P27338 6/20 0.49
▸ BCHE P06276 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAOA P21397 4/20 0.47
▸ CYP1B1 Q16678 1/20 0.45
▸ APP P05067 1/20 0.44
▸ GLA P06280 1/20 0.44

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
SCHEMBL3219977 1.00 MEN1 (0.63) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL28313969 0.81 FBP1 (0.56) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL3232417 0.81 FBP1 (0.56) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL3232414 0.81 FBP1 (0.56) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL9850705 0.80 FBP1 (0.59) MEN1KMT2AFBP1ALDH1A1KDM4E
Maleic Acid SCHEMBL25346301 0.79 MEN1 (0.54) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL481147 0.79 AKR1C3 (0.58) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL52681 0.79 AKR1C3 (0.58) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL17009045 0.79 AKR1C3 (0.58) MEN1KMT2AFBP1ALDH1A1KDM4E
SCHEMBL11980044 0.79 KMT2A (0.48) MEN1KMT2AFBP1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236985-B2 Compounds and uses thereof IMPERIAL INNOVATIONS LTD. (GB) 2012-08-07 — — US disclosed
US-20100063144-A1 COMPOUNDS AND USES THEREOF IMPERIAL INNOVATIONS LTD (GB) 2010-03-11 — — US disclosed
WO-2008050125-A1 COMPOUNDS AND USES THEREOF IMPERIAL INNOVATIONS LTD. (GB) 2008-05-02 — — 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-20100063144-A1 COMPOUNDS AND USES THEREOF HDAC1, HDAC11, HDAC2 MEN1 1240/4885KMT2A 58/4885FBP1 300/4885

“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.

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