SCHEMBL13996170

SCHEMBL13996170

C=C(OC(=O)NCCCCCCCCNC(=O)OC(=C)OC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ACHE P22303 6/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAOX Q6QHF9 2/20 0.36
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL12709179 0.83 THRB (0.43) ALDH1A1TDP1ACHETSHRMEN1
SCHEMBL4947151 0.80 ACHE (0.53) EPHX1ACHETSHR
SCHEMBL15998711 0.79 TSHR (0.40) ALDH1A1TSHR
SCHEMBL4198420 0.76 ALDH1A1 (0.55) ALDH1A1TDP1TSHRKMT2A
SCHEMBL4946707 0.76 ALDH1A1 (0.43) EPHX1ALDH1A1ACHETSHRMEN1
SCHEMBL19884887 0.75 ACHE (0.56) EPHX1ACHETSHR
SCHEMBL275242 0.75 ACHE (0.56) EPHX1ACHETSHR
SCHEMBL11510191 0.74 ACHE (0.56) ACHETSHR
SCHEMBL14368854 0.74 ACHE (0.56) ACHETSHR
SCHEMBL13872032 0.73 ACHE (0.58) ACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076441-B2 Process for bridging organically polymerizable silanes or silane resin systems containing hydroxy- or carboxylic acid groups as well as products obtained with said process FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2011-12-13 — — US disclosed
US-20080319127-A1 Method for Bridging Organically Polymerisable Silanes or Silane Resin Units Containing Hydroxy Groups or Carboxylic Acid Groups, and Products of Said Method FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2008-12-25 — — 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-20080319127-A1 Method for Bridging Organically Polymerisable Silanes or Silane Resin Units Containing Hydroxy Groups or Carboxylic Acid Groups, and Products of Said Method PCNA, POLR1G, POLR1A EPHX1 760/4885KDM4E 2186/4885MAPK1 4376/4885

“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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