SCHEMBL18540404

SCHEMBL18540404

CC[Si](CC)(CC)c1ccc(Br)nc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP11B1 P15538 1/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
ESR1 P03372 1/20 0.32
DGAT1 O75907 1/20 0.32
GBA1 P04062 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
SCHEMBL196394 0.76 CHRNB2 (0.34) NR1H2NR1H3CYP11B1CHRNB2CHRNA4
SCHEMBL7056361 0.71 NR1H2 (0.54) NR1H2NR1H3ESR1
SCHEMBL3026782 0.70 NR1H2 (0.45) NR1H2NR1H3ESR1GBA1
SCHEMBL2180629 0.70
SCHEMBL31728193 0.70
SCHEMBL198353 0.70 NR1H2 (0.40) NR1H2NR1H3CHRNB2CHRNA4DGAT1
SCHEMBL7737532 0.69 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL196196 0.68 ESR1 (0.36) NR1H2NR1H3CHRNB2CHRNA4ESR1
SCHEMBL196453 0.68 ESR1 (0.50) NR1H2NR1H3CHRNB2CHRNA4ESR1
SCHEMBL27827254 0.68 CYP11B1 (0.33) CYP11B1CHRNB2CHRNA4GBA1

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-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 (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-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 NR1H2 1353/4885NR1H3 1348/4885CYP11B1 766/4885

“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.