SCHEMBL20646151

SCHEMBL20646151

C[Si](C)(C)O[Si](C)(C)CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN1 Q9GZT9 3/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 6/20 0.35
CYP11B2 P19099 1/20 0.35
FAAH O00519 1/20 0.34
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL20646112 0.83 KDM4E (0.40) TSHRHSD17B10EGLN1KDM4EALDH1A1
SCHEMBL17225149 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15045544 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL17225131 0.80 HSD17B10 (0.63) TSHRHSD17B10EGLN1KDM4EALDH1A1
SCHEMBL8167780 0.80 HSD17B10 (0.63) TSHRHSD17B10EGLN1KDM4EALDH1A1
SCHEMBL20646160 0.79 RAB9A (0.48) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL20646153 0.78 HSD17B10 (0.41) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL16215324 0.78 TSHR (0.56) TSHRHSD17B10HPGDCYP19A1FAAH
SCHEMBL20646109 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL20646099 0.76 L3MBTL1 (0.52) TSHRHSD17B10KDM4EALDH1A1HPGD

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-10954444-B2 Liquid crystal compound and use thereof LG CHEM, LTD. 2021-03-23 US disclosed
EP-3467072-A1 NOVEL LIQUID CRYSTAL COMPOUND AND USE THEREOF LG Chem, Ltd. (KR) 2019-04-10 EP disclosed
US-20190016956-A1 NOVEL LIQUID CRYSTAL COMPOUND AND USE THEREOF LG CHEM, LTD. (KR) 2019-01-17 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 (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-10954444-B2 Liquid crystal compound and use thereof CNOT9, SCLY, SFXN3 TSHR 4695/4885HSD17B10 1068/4885EGLN1 4582/4885
US-20190016956-A1 NOVEL LIQUID CRYSTAL COMPOUND AND USE THEREOF CNOT9, SFXN3, TLK2 TSHR 4737/4885HSD17B10 1367/4885EGLN1 4587/4885

“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.