SCHEMBL19833209

SCHEMBL19833209

CCCC(C)OC1C(C(=O)O)OC(OC2C(O)C(CO)OC(C(C)CC)C2NC(C)=O)C(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 2/20 0.43
▸ LGALS8 O00214 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS4 P56470 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MDK P21741 2/20 0.36
▸ PTN P21246 1/20 0.36
▸ BDNF P23560 1/20 0.36
▸ CD69 Q07108 1/20 0.35
▸ MAG P20916 1/20 0.35
▸ TYR P14679 4/20 0.35
▸ FGF1 P05230 1/20 0.34
▸ SELL P14151 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
SCHEMBL18883210 1.00 ALDH1A1 (0.46) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL17742330 0.94 ALDH1A1 (0.53) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL26473755 0.91 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL16710248 0.88 ALDH1A1 (0.46) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL22570748 0.88 ALDH1A1 (0.45) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL18098580 0.87 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL21650603 0.87 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL17359489 0.84 ALDH1A1 (0.42) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL19749908 0.84 ALDH1A1 (0.44) ALDH1A1THRBMAPK1LGALS8LGALS3
SCHEMBL20662400 0.84 ALDH1A1 (0.44) ALDH1A1THRBMAPK1LGALS8LGALS3

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-20180028672-A1 Protease Triggered Release Of Molecules From Hydrogels THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2018-02-01 — — 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-20180028672-A1 Protease Triggered Release Of Molecules From Hydrogels PEPD, DNPEP, MMP1 ALDH1A1 2470/4885THRB 3502/4885MAPK1 3084/4885

“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.

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