SCHEMBL20122304

SCHEMBL20122304

CCC(C)(CC)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 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MDK P21741 2/20 0.38
▸ BDNF P23560 2/20 0.38
▸ PTN P21246 1/20 0.38
▸ FGF1 P05230 1/20 0.38
▸ CD69 Q07108 1/20 0.38
▸ CHIA Q9BZP6 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
SCHEMBL16269841 1.00 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL21316642 1.00 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL22472735 1.00 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL12580409 0.94 LGALS3 (0.40) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL20290392 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL19928682 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL18737220 0.93 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL24121225 0.92 LGALS3 (0.39) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL18936352 0.90 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL19325099 0.90 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210187166-A1 MIXTURE OF POLYMERS, LUBRICATING FLUID AND POROUS MATERIALS COMPRISING SAID MIXTURE, AND SURFACE BEARING SAID MIXTURE CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2021-06-24 — — US disclosed
US-20200214564-A1 Mixed Ionic Electronic Conductors: Devices, Systems and Methods of Use BATTELLE MEMORIAL INSTITUTE 2020-07-09 — — US disclosed
US-10660906-B2 Hyaluronan conjugates with pharmaceutically active substances, methods and compositions SYNARTRO AB (SE) 2020-05-26 — — US disclosed
US-10398636-B2 Deuterium-enriched hyaluronan Deuteria Biomaterials (US) 2019-09-03 — — US disclosed
US-9962565-B2 Optically-activated system for reducing the appearance of skin imperfections ELC MANAGEMENT LLC (US) 2018-05-08 — — 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-10398636-B2 Deuterium-enriched hyaluronan DOHH, CD44, HDHD5 LGALS3 521/4885LGALS8 658/4885LGALS4 424/4885
US-10660906-B2 Hyaluronan conjugates with pharmaceutically active substances, methods and compositions CD44, PIGS, HPSE LGALS3 416/4885LGALS8 374/4885LGALS4 311/4885

“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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