SCHEMBL18737220

SCHEMBL18737220

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.42
▸ LGALS8 O00214 1/20 0.42
▸ LGALS4 P56470 1/20 0.42
▸ MAPK1 P28482 2/20 0.39
▸ MDK P21741 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BDNF P23560 2/20 0.38
▸ PTN P21246 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CD69 Q07108 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.36
▸ FGF1 P05230 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LGALS9 O00182 1/20 0.35

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
SCHEMBL20290392 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL21316642 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL20122304 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL16269841 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL22472735 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL18936352 0.90 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL19325099 0.90 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL12580409 0.90 LGALS3 (0.40) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL19273575 0.90 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL24121225 0.87 LGALS3 (0.39) LGALS3LGALS8LGALS4MAPK1MDK

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-20190001000-A1 Fluorescent Cypate Conjugate of Hyaluronic Acid or Salt Thereof, Hydrophobized Conjugate, Methods of Preparation and Use Thereof CONTIPRO A.S. (CZ) 2019-01-03 — — US disclosed
US-20170103184-A1 INJECTABLE FILLER NGUYEN PHI (US) 2017-04-13 — — 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 (2 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-20170103184-A1 INJECTABLE FILLER MMP1, IDE, INHA LGALS3 1846/4885LGALS8 954/4885LGALS4 688/4885
US-20190001000-A1 Fluorescent Cypate Conjugate of Hyaluronic Acid or Salt Thereof, Hydrophobized Conjugate, Methods of Preparation and Use Thereof CD44, MMP13, CYP8B1 LGALS3 448/4885LGALS8 1568/4885LGALS4 941/4885

“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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