SCHEMBL17040476

SCHEMBL17040476

CCOC(=O)C(C#N)=Cc1cc2cc3c(cc2oc1=O)C#CCCC1C(C(=O)OCC)C31

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ ALDH1A1 P00352 9/20 0.37
▸ MAPT P10636 8/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ STAT1 P42224 1/20 0.34

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
SCHEMBL17040462 0.91 PKM (0.30) RAB9A
SCHEMBL17037896 0.86 ALDH1A1 (0.35) MIFALDH1A1MAPTHPGDNPSR1
SCHEMBL17040376 0.83 CYP3A4 (0.34) MIFNPC1RAB9A
SCHEMBL17037995 0.83 PKM (0.31) MIFRAB9A
SCHEMBL17040474 0.80 ATM (0.37) ATMMIFCRHBPCRHR2ALDH1A1
SCHEMBL17040454 0.79 — —
SCHEMBL17040467 0.79 — —
SCHEMBL17040475 0.78 MIF (0.41) ATMMIFCRHBPCRHR2ALDH1A1
SCHEMBL17040481 0.78 MIF (0.41) ATMMIFCRHBPCRHR2ALDH1A1
SCHEMBL17040440 0.78 PKM (0.33) ATMALDH1A1MAPTHPGDNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 — — US disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 — — 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-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 ATM 2738/4885MIF 3348/4885CRHBP 2238/4885

“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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