SCHEMBL13245133

SCHEMBL13245133

COC(=O)c1ccc(C#CC#C[C@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.37
P2RY6 Q15077 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL18691206 1.00 PTPN11 (0.37) PTPN11P2RY6NPC1RAB9AHPGD
SCHEMBL18691208 1.00 PTPN11 (0.37) PTPN11P2RY6NPC1RAB9AHPGD
SCHEMBL13245206 0.89 RARB (0.40) PTPN11
SCHEMBL18691202 0.89 RARB (0.40) PTPN11
SCHEMBL18691203 0.89 RARB (0.40) PTPN11
SCHEMBL14715015 0.85 PTPN11 (0.48) PTPN11NPC1SMN1; SMN2MAPTTDP1
SCHEMBL3018699 0.83 PTPN11 (0.47) PTPN11NPC1SMN1; SMN2MAPTTDP1
SCHEMBL18712240 0.80 PTPN11 (0.44) PTPN11NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3007588 0.80 PTPN11 (0.46) PTPN11NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3016768 0.79 HPGD (0.44) PTPN11NPC1RAB9AHPGDSMN1; SMN2

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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 PTPN11 3418/4885P2RY6 2649/4885NPC1 299/4885

“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.