SCHEMBL17765453

SCHEMBL17765453

COC(C#C[Si](C)(C)C)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM5 P41594 9/20 0.35
▸ APP P05067 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL17765416 0.89 KDM4E (0.35) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765411 0.86 MAPT (0.42) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17777988 0.85 MAPT (0.41) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17773363 0.85 MAPT (0.41) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765386 0.79 ALDH1A1 (0.42) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765408 0.79 MAPT (0.41) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765433 0.79 NPC1 (0.36) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765393 0.79 APP (0.41) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765455 0.79 TSHR (0.39) NPC1SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17765427 0.79 APP (0.41) NPC1SMN1; SMN2KDM4EALDH1A1MEN1

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-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 — — US disclosed
US-9676679-B2 Traceless directing groups in radical cascades: from oligoalkynes to fused helicenes without tethered initators The Florida State University Research Foundation, Inc. (US) 2017-06-13 — — US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 — — US disclosed
US-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS The Florida State University Research Foundation, Inc 2016-05-26 — — 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-20160145276-A1 TRACELESS DIRECTING GROUPS IN RADICAL CASCADES: FROM OLIGOALKYNES TO FUSED HELICENES WITHOUT TETHERED INITATORS OR51E2, OR10J3, ORC3 NPC1 2671/4885SMN1; SMN2 1433/4885KDM4E 3226/4885

“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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