SCHEMBL2811361

SCHEMBL2811361

C#Cc1cc(S)cc(C#C)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HDAC8 Q9BY41 2/20 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
SCHEMBL211753 0.83 CYP1A1 (0.46) CYP1A1CYP1B1HDAC8
SCHEMBL2807613 0.82 TRPV4 (0.33) CYP1A1CYP1B1
SCHEMBL2811331 0.73
SCHEMBL2806548 0.71 CYP1A1 (0.34) CYP1A1CYP1B1HDAC8
SCHEMBL2814698 0.69 CYP1A1 (0.33) CYP1A1CYP1B1HDAC8
SCHEMBL2812465 0.69
SCHEMBL3893554 0.69 CYP1A1 (0.37) CYP1A1CYP1B1HDAC8
SCHEMBL18687031 0.69 CYP1A1 (0.37) CYP1A1CYP1B1HDAC8
SCHEMBL2807680 0.69 BACE1 (0.41) CYP1A1CYP1B1HDAC8
SCHEMBL2160825 0.69 TRPV4 (0.46) HDAC8

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 CYP1A1 107/4885CYP1B1 134/4885HDAC8 513/4885

“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.