SCHEMBL17765386

SCHEMBL17765386

C[Si](C)(C)C#CC(O)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP2C19 P33261 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ RAB9A P51151 3/20 0.37
▸ GRM5 P41594 3/20 0.37
▸ APP P05067 1/20 0.36
▸ CYP2D6 P10635 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL17765432 0.89 KMT2A (0.40) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL17765434 0.87 ALDH1A1 (0.46) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL17765460 0.85 ALDH1A1 (0.44) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL17765453 0.79 NPC1 (0.37) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL6535646 0.75 NPC1 (0.50) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL17773364 0.72 NPC1 (0.38) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL28282150 0.71 NPC1 (0.50) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL2799259 0.71 CACNA2D1 (0.56) ALDH1A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17765465 0.71 FFAR1 (0.39) ALDH1A1NPC1MEN1CYP1A2CYP3A4
SCHEMBL17765416 0.71 KDM4E (0.35) ALDH1A1NPC1MEN1CYP1A2CYP3A4

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 ALDH1A1 1301/4885NPC1 2671/4885MEN1 2252/4885

“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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