SCHEMBL22012806

SCHEMBL22012806

O=C1C2C3CCC(O3)C2C(=O)N1CCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 4/20 0.37
MGLL Q99685 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
PPP1CC P36873 1/20 0.34
TFPI2 P48307 1/20 0.34
RAB9A P51151 1/20 0.34
PPP5C P53041 1/20 0.34
PPP1CA P62136 1/20 0.34
PMP22 Q01453 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL12182012 0.82 PPM1B (0.43) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL12286843 0.79 ALDH1A1 (0.43) MGLLUSP2TSHRHTTHSD17B10
SCHEMBL14129235 0.79 ALDH1A1 (0.43) MGLLUSP2TSHRHTTHSD17B10
SCHEMBL10126651 0.79 ALDH1A1 (0.43) MGLLUSP2TSHRHTTHSD17B10
SCHEMBL17532429 0.78 PPM1B (0.48) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL14729854 0.78 L3MBTL1 (0.40) PPM1BTDP1SMN1; SMN2KDM4EGMNN
SCHEMBL20445531 0.77 PPM1B (0.32) PPM1BL3MBTL1
SCHEMBL18126828 0.77 ALDH1A1 (0.43) MGLLUSP2TSHRHTTHSD17B10
SCHEMBL12284562 0.77 ALDH1A1 (0.43) MGLLUSP2TSHRHTTHSD17B10
SCHEMBL2024740 0.77 ALDH1A1 (0.43) MGLLUSP2TSHRHTTHSD17B10

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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 PPM1B 3944/4885MGLL 539/4885USP2 2452/4885

“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.