SCHEMBL2029952

SCHEMBL2029952

C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.36
EGFR P00533 2/20 0.34
SMYD2 Q9NRG4 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ABL1 P00519 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL2030044 0.88 SMYD2 (0.33) EGFRSMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL21963731 0.87 CYP3A4 (0.34) EGFRSMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20296763 0.85 SMYD2 (0.37) TET2EGFRSMYD2CYP3A4HTT
SCHEMBL2029219 0.84 ALDH1A1 (0.44) SMN1; SMN2TDP1MAPTTSHR
SCHEMBL8354088 0.83 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL29015997 0.83 ALOX15 (0.41) SMYD2CYP3A4HTTSMN1; SMN2CYP2C19
SCHEMBL789538 0.83 ALOX15 (0.41) SMYD2CYP3A4HTTSMN1; SMN2CYP2C19
SCHEMBL25343738 0.82 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL7336991 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2CYP2C19
SCHEMBL8940570 0.82 SMYD2 (0.36) EGFRSMYD2CYP3A4HTTSMN1; SMN2

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-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 US disclosed
US-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 US disclosed
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2010-03-11 US disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 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 (2 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-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 TET2 764/4885EGFR 4097/4885SMYD2 1392/4885
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF NOS2, NOS1, MAPK1 TET2 2476/4885EGFR 2583/4885SMYD2 2011/4885

“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.