SCHEMBL22168548

SCHEMBL22168548

Cc1ncc([Si](C)(C)C)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 4/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL10105111 0.79 PSMB5 (0.49) PSMB5AKT1AKT2CYP1A2CYP2C9
SCHEMBL20180021 0.76 SQOR (0.46) PSMB5AKT1AKT2NPC1RAB9A
SCHEMBL14923566 0.76 IRAK4 (0.46) PSMB5AKT1AKT2NPC1RAB9A
SCHEMBL18073582 0.74 PDE10A (0.44) PSMB5NPC1RAB9AMEN1KMT2A
SCHEMBL16852486 0.73 RAB9A (0.42) PSMB5AKT1AKT2NPC1RAB9A
SCHEMBL13561344 0.73 METAP2 (0.49) PSMB5AKT1AKT2CYP1A2CYP2C9
SCHEMBL18762208 0.73 PSMB5 (0.46) PSMB5AKT1AKT2CYP1A2CYP2C9
SCHEMBL26650965 0.71 MET (0.48) CYP2C9CYP2C19RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19415208 0.71 ALDH1A1 (0.44) PSMB5AKT1AKT2CYP1A2CYP2C9
SCHEMBL15453485 0.69 PTGS2 (0.37) AKT1AKT2NPC1RAB9AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200212323-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — 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-20200212323-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYC1, CYBA PSMB5 4427/4885AKT1 2876/4885AKT2 3864/4885

“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.

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