SCHEMBL14686176

SCHEMBL14686176

CC(C)(C)[Si](C)(C)Oc1cc(/C=C/Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
APP P05067 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
THRB P10828 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL14686177 1.00 PTGER4 (0.43) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL3675250 0.98 KDM4E (0.43) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL14686077 0.96 PTGER4 (0.41) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL14686076 0.96 PTGER4 (0.41) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL14685969 0.93 PTGER4 (0.48) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL14685966 0.93 PTGER4 (0.48) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL5106171 0.84 APP (0.45) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL13508822 0.80 PRKCE (0.41) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL3671019 0.79 LMNA (0.50) PTGER4PTGER3PTGER2APPALDH1A1
SCHEMBL28888981 0.78 ALDH1A1 (0.53) APPALDH1A1HPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171631-A1 SYNTHESIS OF CATECHIN AND EPICATECHIN CONJUGATES NESTEC S.A. (CH) 2014-06-19 US disclosed
EP-2742034-A1 SYNTHESIS OF CATECHIN AND EPICATECHIN CONJUGATES Nestec S.A. (CH) 2014-06-18 EP disclosed
WO-2013020979-A1 SYNTHESIS OF CATECHIN AND EPICATECHIN CONJUGATES NESTEC S.A. (CH) 2013-02-14 WO disclosed
EP-2557079-A1 Synthesis of catechin and epicatechin conjugates Nestec S.A. (CH) 2013-02-13 EP 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-20140171631-A1 SYNTHESIS OF CATECHIN AND EPICATECHIN CONJUGATES COMT, NQO1, UGT1A1 PTGER4 1123/4885PTGER3 1246/4885PTGER2 905/4885

“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.