SCHEMBL17765432

SCHEMBL17765432

C[Si](C)(C)C#Cc1ccccc1C(O)C#Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2C9 P11712 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IDO1 P14902 1/20 0.37
▸ GRM5 P41594 2/20 0.35
▸ APP P05067 1/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ CACNA2D1 P54289 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
SCHEMBL17765386 0.89 ALDH1A1 (0.42) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL17765434 0.85 ALDH1A1 (0.46) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL17765416 0.81 KDM4E (0.35) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL17765460 0.80 ALDH1A1 (0.44) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL28728194 0.78 KDM4E (0.42) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL6535646 0.76 NPC1 (0.50) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL2686082 0.75 IDO1 (0.44) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL9667703 0.75 APP (0.39) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL4095370 0.74 CYP1A2 (0.41) KMT2AALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL31064183 0.73 MAPT (0.41) KMT2AALDH1A1CYP3A4CYP2C9HPGD

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 KMT2A 1938/4885ALDH1A1 1301/4885CYP3A4 1251/4885

“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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