SCHEMBL17765433

SCHEMBL17765433

COC(C#Cc1ccc(F)cc1)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FFAR1 O14842 6/20 0.35
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP12 P39900 2/20 0.34
▸ HSD17B2 P37059 1/20 0.33
▸ APP P05067 1/20 0.33
▸ GRM5 P41594 2/20 0.32

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
SCHEMBL17765411 0.91 MAPT (0.42) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17773363 0.87 MAPT (0.41) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765427 0.86 APP (0.41) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765393 0.86 APP (0.41) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765463 0.86 FFAR1 (0.34) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765455 0.86 TSHR (0.39) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765384 0.86 FFAR1 (0.36) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765422 0.85 PTGES (0.36) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17765414 0.85 PTGES (0.36) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL17777988 0.84 MAPT (0.41) NPC1MAPTKDM4EMEN1ALDH1A1

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 6 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-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
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 2671/4885MAPT 4453/4885KDM4E 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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