SCHEMBL16709262

SCHEMBL16709262

CCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCS(=O)(=O)O)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 1/20 0.45
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL16706068 0.95 TSHR (0.50) ACACBCA12CA1CA2CA7
SCHEMBL12781078 0.92 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL17975072 0.88 L3MBTL1 (0.46) CA12CA1CA2CA9L3MBTL1
SCHEMBL4872642 0.83 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL14560509 0.82 PLA2G2A (0.49) CA12CA1CA2CA7CA9
SCHEMBL5584060 0.82 S1PR1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5583900 0.81 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3434851 0.81 ACACB (0.57) ACACBCA12CA1CA2CA7
SCHEMBL16706066 0.81 ACACB (0.57) ACACBCA12CA1CA2CA7
SCHEMBL17987958 0.78 PTGDR2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150132184-A1 CHARGED SINGLET-OXYGEN SENSITIZERS AND OPPOSITELY-CHARGED SURFACTANTS THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2015-05-14 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-20150132184-A1 CHARGED SINGLET-OXYGEN SENSITIZERS AND OPPOSITELY-CHARGED SURFACTANTS SPTSSB, TST, DDT ACACB 2117/4885CA12 2042/4885CA1 1617/4885

“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.