SCHEMBL5859271

SCHEMBL5859271

COC(=O)c1ccc(C(=O)c2c(NC(=O)CN3CCCCC3)sc3c2CCOC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
CNR2 P34972 4/20 0.51
MAPT P10636 4/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
RORC P51449 1/20 0.47
CNR1 P21554 1/20 0.46

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
SCHEMBL5858139 0.92 ALDH1A1 (0.50) ALDH1A1CNR2MAPTHSD17B10MAPK1
SCHEMBL5859194 0.90 ALDH1A1 (0.50) ALDH1A1CNR2HSD17B10MAPK1TSHR
SCHEMBL5858104 0.90 RORC (0.51) ALDH1A1CNR2HSD17B10MAPK1TSHR
SCHEMBL6263830 0.83 ESR1 (0.38) ALDH1A1CNR2MAPTTSHRKDM4E
SCHEMBL5856893 0.83 CNR2 (0.61) ALDH1A1CNR2HSD17B10TSHRALOX15
SCHEMBL5859249 0.82 KIF11 (0.55) ALDH1A1CNR2HSD17B10TSHRALOX15
SCHEMBL5856681 0.82 CNR2 (0.51) ALDH1A1CNR2HSD17B10TSHRALOX15
SCHEMBL5859317 0.81 RORC (0.53) ALDH1A1CNR2MAPTHSD17B10TP53
SCHEMBL5449658 0.81 ALDH1A1 (0.71) ALDH1A1CNR2MAPTHSD17B10MAPK1
SCHEMBL5859337 0.80 ANO1 (0.45) ALDH1A1CNR2MAPTHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071215-B2 Anthelmintic and insecticidal compositions PHARMACIA & UPJOHN COMPANY LLC (US) 2006-07-04 US claimed
US-20040127548-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-07-01 US claimed
US-7071215-B2 Anthelmintic and insecticidal compositions PHARMACIA & UPJOHN COMPANY LLC (US) 2006-07-04 US disclosed
US-20040127548-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-07-01 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-20040127548-A1 Novel anthelmintic and insecticidal compositions ACHE, BCHE, AADAC ALDH1A1 2781/4885CNR2 1806/4885MAPT 2875/4885

“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.