SCHEMBL786018

SCHEMBL786018

CC(C#N)(CCC(=O)OC1CCCCC1)/N=N\C(C)(C#N)CCC(=O)OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
HTT P42858 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL12148874 0.94 MEN1 (0.30)
SCHEMBL786251 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL785895 0.80 MEN1 (0.32) NAAAPOLB
SCHEMBL10068118 0.78 MEN1 (0.30) NAAA
SCHEMBL786052 0.73 CTSK (0.34) NAAA
SCHEMBL13614065 0.70 NAAA (0.44) NAAAALDH1A1POLB
SCHEMBL786014 0.70 CTSK (0.33)
SCHEMBL13779872 0.70 NAAA (0.57) NAAAHTTCYP19A1CYP2C19ALDH1A1
SCHEMBL7675370 0.68 NAAA (0.56) NAAAHTTCYP19A1CYP2C19ALDH1A1
SCHEMBL26645777 0.68 ALDH1A1 (0.46) NAAAALDH1A1HPGDPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071638-A1 Copolymer for positive type lithography, polymerization initiator used in production of said copolymer, and composition for semiconductor lithography MARUZEN PETROCHEMICAL CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071638-A1 Copolymer for positive type lithography, polymerization initiator used in production of said copolymer, and composition for semiconductor lithography MARUZEN PETROCHEMICAL CO., LTD. (JP) 2012-03-22 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-20120071638-A1 Copolymer for positive type lithography, polymerization initiator used in production of said copolymer, and composition for semiconductor lithography FRG1, H1-10, POLL NAAA 822/4885HTT 2692/4885CYP19A1 3480/4885

“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.