SCHEMBL2810865

SCHEMBL2810865

C#Cc1ccc(C#C)c(S)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL30422554 0.77 HDAC8 (0.36) HDAC8CA12CA1CA2CA9
SCHEMBL3902556 0.77 HDAC8 (0.36) HDAC8CA12CA1CA2CA9
SCHEMBL2811905 0.74 ALDH1A1 (0.36) HDAC8CA12CA1CA2CA9
SCHEMBL689115 0.71 PTPN1 (0.41) HDAC8CA12CA1CA2CA9
SCHEMBL3841101 0.71 HDAC8 (0.34) HDAC8CA12CA1CA2CA9
SCHEMBL30262836 0.71 HDAC8 (0.34) HDAC8CA12CA1CA2CA9
SCHEMBL2806303 0.71 CA12 (0.35) HDAC8CA12CA1CA2CA9
SCHEMBL16182687 0.71 HDAC8 (0.34) HDAC8CA12CA1CA2CA9
SCHEMBL9861993 0.71 TRPV4 (0.34) HDAC8CA12CA1CA2CA9
SCHEMBL9793597 0.71 AR (0.39)

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B HDAC8 513/4885CA12 2006/4885CA1 1402/4885

“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.