SCHEMBL17773358

SCHEMBL17773358

COC(C#Cc1ccc2ccccc2c1)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 2/20 0.40
▸ ACACB O00763 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ SLC16A3 O15427 2/20 0.34
▸ DHFR P00374 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL17765411 0.88 MAPT (0.42) DHFRCYP1A2FFAR1KDM4EMEN1
SCHEMBL17765393 0.85 APP (0.41) ACACBSLC16A3DHFRCYP1A2FFAR1
SCHEMBL17765427 0.85 APP (0.41) ACACBSLC16A3DHFRCYP1A2FFAR1
SCHEMBL17773363 0.83 MAPT (0.41) DHFRCYP1A2FFAR1KDM4EMEN1
SCHEMBL17765410 0.83 FFAR1 (0.41) ACACBFFAR1
SCHEMBL17765433 0.83 NPC1 (0.36) CYP1A2FFAR1KDM4EMEN1NPC1
SCHEMBL17765455 0.83 TSHR (0.39) CYP1A2FFAR1KDM4EMEN1NPC1
SCHEMBL17777988 0.81 MAPT (0.41) DHFRCYP1A2FFAR1KDM4EMEN1
SCHEMBL17765414 0.80 PTGES (0.36) ACACBCYP1A2FFAR1KDM4EMEN1
SCHEMBL17765422 0.80 PTGES (0.36) ACACBCYP1A2FFAR1KDM4EMEN1

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 ASIC3 1607/4885ACACB 2924/4885PDGFRB 234/4885

“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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