SCHEMBL10068096

SCHEMBL10068096

O=C(O)CCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.90
TERT O14746 12/20 0.62
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
NPY5R Q15761 1/20 0.56
MAOA P21397 1/20 0.55
CYP1A2 P05177 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4726214 0.91 P2RY12 (0.73) P2RY12TERTCA12CA9NPY5R
SCHEMBL4726206 0.91 P2RY12 (0.73) P2RY12TERTCA12CA9NPY5R
SCHEMBL7931748 0.85 P2RY12 (0.82) P2RY12TERTNPY5RMAOAKDM4E
SCHEMBL6690392 0.85 BRD4 (0.68) P2RY12TERTCA12CA9NPY5R
SCHEMBL5333828 0.80 P2RY12 (0.72) P2RY12TERTCA12CA9KDM4E
SCHEMBL11957585 0.79 NPSR1 (0.69) P2RY12CA12CA9CYP1A2NPSR1
SCHEMBL19308466 0.79 P2RY12 (0.71) P2RY12TERTNPY5RKDM4EMTNR1A
SCHEMBL5344753 0.78 P2RY12 (0.70) P2RY12TERT
SCHEMBL27368087 0.77 KDM4E (0.58) P2RY12CA12CA9CYP1A2NPSR1
SCHEMBL5332048 0.76 TERT (1.00) P2RY12TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015373-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2012-01-19 US disclosed
US-20120015373-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2012-01-19 US disclosed
US-8034558-B2 Incubating dye of given formula with biological material, measuring fluorescence lifetime; lectins/glycoproteins, biotin/streptavidin, DNA/RNA GE HEALTHCARE UK LIMITED (GB) 2011-10-11 US disclosed
US-8034558-B2 Incubating dye of given formula with biological material, measuring fluorescence lifetime; lectins/glycoproteins, biotin/streptavidin, DNA/RNA GE HEALTHCARE UK LIMITED (GB) 2011-10-11 US disclosed
US-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2008-06-12 US disclosed
US-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2008-06-12 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-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS ACR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ARSA P2RY12 1578/4885TERT 2994/4885CA12 1442/4885

“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.