SCHEMBL3515854

SCHEMBL3515854

CCOC(=O)CCCCCOc1cc(C(=O)OCC)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSV O60911 2/20 0.41
▸ CTSL P07711 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MYC P01106 1/20 0.40
▸ MAX P61244 1/20 0.40

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
SCHEMBL3518722 1.00 L3MBTL1 (0.45) L3MBTL1ALDH1A1KMT2ATDP1MAPK1
SCHEMBL3515803 0.93 CTSV (0.43) L3MBTL1ALDH1A1KMT2ACTSVCTSL
SCHEMBL13903537 0.93 CTSV (0.43) L3MBTL1ALDH1A1KMT2ACTSVCTSL
SCHEMBL4340073 0.86 TNF (0.50) L3MBTL1ALDH1A1KMT2ATDP1MAPT
SCHEMBL643777 0.86 TNF (0.50) L3MBTL1ALDH1A1KMT2ATDP1MAPT
SCHEMBL4342538 0.85 TNF (0.42) L3MBTL1ALDH1A1KMT2ATDP1MAPT
SCHEMBL641711 0.85 TNF (0.42) L3MBTL1ALDH1A1KMT2ATDP1MAPT
SCHEMBL3517647 0.84 TDP1 (0.43) L3MBTL1ALDH1A1KMT2ATDP1MAPK1
SCHEMBL3518262 0.84 TDP1 (0.43) L3MBTL1ALDH1A1KMT2ATDP1MAPK1
SCHEMBL20897393 0.81 CTSV (0.52) L3MBTL1ALDH1A1KMT2ATDP1CTSV

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
EP-2194787-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2010-06-16 — — EP disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 — — WO disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 — — 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-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 L3MBTL1 3524/4885ALDH1A1 909/4885KMT2A 125/4885

“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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