SCHEMBL18540375

SCHEMBL18540375

C[Si](C)(C)c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc([Si](C)(C)C)cn4)c3)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
LDHA P00338 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CYP11B2 P19099 6/20 0.33
CYP3A4 P08684 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
KDM1A O60341 1/20 0.33
FYN P06241 1/20 0.32
HPGDS O60760 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
SCHEMBL18540383 0.96 HSD17B1 (0.39) CYP11B1HSD17B1HSD17B2LDHAIDO1
SCHEMBL18540374 0.83 KDM1A (0.35) CYP11B1HSD17B1HSD17B2IDO1CYP11B2
SCHEMBL18540381 0.83 DHFR (0.36) CYP11B1HSD17B1HSD17B2IDO1TDO2
SCHEMBL17952949 0.83 HSD17B1 (0.53) CYP11B1HSD17B1HSD17B2LDHAIDO1
SCHEMBL16405288 0.83 HSD17B1 (0.45) CYP11B1HSD17B1HSD17B2LDHAIDO1
SCHEMBL17780846 0.81 LDHA (0.48) CYP11B1LDHAIDO1TDO2CYP11B2
SCHEMBL29505097 0.81 LDHA (0.48) CYP11B1LDHAIDO1TDO2CYP11B2
SCHEMBL18540403 0.80 CYP11B1 (0.31) CYP11B1
SCHEMBL18540419 0.79
SCHEMBL31754774 0.79 HSD17B1 (0.43) HSD17B1HSD17B2LDHAIDO1TDO2

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 CYP11B1 766/4885HSD17B1 1490/4885HSD17B2 1944/4885
US-11211571-B2 Organometallic compound and organic light-emitting device including the same CRY1, LEF1, POU2F1 CYP11B1 766/4885HSD17B1 1490/4885HSD17B2 1944/4885
US-20170054095-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 CYP11B1 766/4885HSD17B1 1490/4885HSD17B2 1944/4885

“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.