SCHEMBL10017801

SCHEMBL10017801

COc1ccc(COC(=O)n2c(C3CCCCC3)nc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.69
CNR1 P21554 2/20 0.52
KCNH2 Q12809 2/20 0.52
CYP3A4 P08684 1/20 0.52
TLR7 Q9NYK1 1/20 0.48
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
PARP1 P09874 1/20 0.45
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
BLM P54132 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2B Q13224 1/20 0.43
P2RX4 Q99571 1/20 0.43

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
SCHEMBL722912 0.89 CNR2 (0.57) CNR2CNR1POLBUSP2MAPK1
SCHEMBL9880604 0.80 GSK3B (0.56) CNR2CNR1PARP1MEN1KMT2A
SCHEMBL9880614 0.78 PARP1 (0.64) CNR2CNR1PARP1NPSR1MEN1
SCHEMBL10017802 0.77 GRIN2B (0.48) CNR2CYP3A4TLR7POLBGRIN2B
SCHEMBL9880603 0.74 KMT2A (0.63) PARP1MEN1KMT2AGRIN2BP2RX4
SCHEMBL28192954 0.72 CNR2 (0.64) CNR2CNR1POLBUSP2MAPK1
SCHEMBL10017800 0.72 EPHX1 (0.42) CNR2CNR1POLBUSP2GRIN2B
SCHEMBL7163776 0.69 P2RX4 (0.52) PARP1MEN1KMT2AP2RX4
SCHEMBL724677 0.69 ASAH1 (0.54) PARP1KMT2A
SCHEMBL14842150 0.69 HTR2B (0.49) NPSR1MEN1KMT2AGRIN2B

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-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 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-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS AHNAK, POLL, NUDC CNR2 1533/4885CNR1 1700/4885KCNH2 496/4885

“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.