SCHEMBL22359810

SCHEMBL22359810

CCC(CC)C1OC(CO)C(O)C(OC2OC(C(=O)NNC(=O)C(=O)NN)C(O)C(O)C2O)C1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ LGALS3 P17931 5/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ CD69 Q07108 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAG P20916 2/20 0.33
▸ SELL P14151 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33

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
SCHEMBL22359800 0.92 ALDH1A1 (0.40) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL23805487 0.91 ALDH1A1 (0.39) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL22359928 0.88 ALDH1A1 (0.39) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL23805518 0.83 ALDH1A1 (0.39) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL23805519 0.79 ALDH1A1 (0.46) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL18088855 0.78 ALDH1A1 (0.43) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL20662400 0.76 ALDH1A1 (0.44) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL19749908 0.76 ALDH1A1 (0.44) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL21650603 0.76 ALDH1A1 (0.47) ALDH1A1THRBLGALS3LGALS8LGALS4
SCHEMBL18098580 0.76 ALDH1A1 (0.47) ALDH1A1THRBLGALS3LGALS8LGALS4

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-20200262939-A1 PHOTO-COUPLED SYNERGISTICALLY CROSSLINKED HYDROGEL MATERIAL AND ITS COMPOSITION, PREPARATION METHOD, USE, PRODUCT, AND PREPARATION KIT Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2020-08-20 — — 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-20200262939-A1 PHOTO-COUPLED SYNERGISTICALLY CROSSLINKED HYDROGEL MATERIAL AND ITS COMPOSITION, PREPARATION METHOD, USE, PRODUCT, AND PREPARATION KIT PKN3, JAK3, KIT ALDH1A1 92/4885THRB 1229/4885LGALS3 2758/4885

“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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