SCHEMBL18540388

SCHEMBL18540388

CC(C)Cc1cc(-c2cccc(Oc3cccc(-c4cc(CC(C)C)c([Si](C)(C)C)cn4)c3)c2)ncc1[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 1/20 0.36
LYN P07948 1/20 0.33
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
TSHR P16473 4/20 0.33
CYP2C19 P33261 4/20 0.33
LMNA P02545 3/20 0.33
CLK4 Q9HAZ1 3/20 0.33
CXCR1 P25024 1/20 0.33
KDM1A O60341 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FABP1 P07148 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL17637117 0.84 KMO (0.37) CYP3A4GABRA1
SCHEMBL17637115 0.84 ADORA1 (0.38) CYP3A4CYP11B1CYP11B2
SCHEMBL18540389 0.83 TP53 (0.43) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL24134539 0.81 WNK1 (0.35) WNK1LYNNR1H2NR1H3CYP1A2
SCHEMBL17811395 0.78 SGK1 (0.36) WNK1ALOX5APFEN1
SCHEMBL23416511 0.77 NPC1 (0.35) KDM1A
SCHEMBL22168565 0.76 TDO2 (0.36) CXCR1ALDH1A1ALOX5APFEN1HPGD
SCHEMBL18540402 0.76 PIM1 (0.31)
SCHEMBL29492597 0.75 CYP11B1 (0.40) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL17787963 0.73 PDE10A (0.36) CYP1A2CYP2D6CYP2C19LMNAALDH1A1

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-20220093880-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-03-24 US disclosed
US-11211571-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-12-28 US disclosed
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 US disclosed
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2017-02-23 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 (3 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-20220093880-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 WNK1 4559/4885LYN 3038/4885NR1H2 1353/4885
US-11211571-B2 Organometallic compound and organic light-emitting device including the same CRY1, LEF1, POU2F1 WNK1 4559/4885LYN 3038/4885NR1H2 1353/4885
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 WNK1 4559/4885LYN 3038/4885NR1H2 1353/4885

“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.