SCHEMBL18088855

SCHEMBL18088855

CCC(CC)C1OC(CO)[C@@H](O)C(O[C@@H]2OC(C(=O)O)[C@@H](OC)C(O)[C@@H]2O)[C@@H]1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LGALS3 P17931 6/20 0.41
▸ LGALS8 O00214 2/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ MDK P21741 3/20 0.41
▸ BDNF P23560 3/20 0.41
▸ PTN P21246 2/20 0.41
▸ CD69 Q07108 1/20 0.39
▸ LGALS1 P09382 1/20 0.39
▸ LGALS7; LGALS7B P47929 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LGALS9 O00182 1/20 0.38

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
SCHEMBL22570748 0.91 ALDH1A1 (0.45) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL19546052 0.91 MAPK1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL20662400 0.90 ALDH1A1 (0.44) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL19749908 0.90 ALDH1A1 (0.44) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL21316636 0.88 ALDH1A1 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL24635222 0.86 LGALS3 (0.43) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL17150140 0.86 LGALS3 (0.43) ALDH1A1THRBMAPK1LGALS3LGALS8
Dermatan SCHEMBL13472480 0.86 LGALS3 (0.49) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL24673751 0.86 MAPK1 (0.56) ALDH1A1THRBMAPK1LGALS3LGALS8
Dermatan SCHEMBL12691925 0.86 LGALS3 (0.49) ALDH1A1THRBMAPK1LGALS3LGALS8

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-20160271264-A1 OPTICALLY-ACTIVATED SYSTEM FOR REDUCING THE APPEARANCE OF SKIN IMPERFECTIONS ELC MANAGEMENT LLC 2016-09-22 — — 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-20160271264-A1 OPTICALLY-ACTIVATED SYSTEM FOR REDUCING THE APPEARANCE OF SKIN IMPERFECTIONS CUTA, NR2E3, TYR ALDH1A1 2663/4885THRB 4382/4885MAPK1 4827/4885

“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.

Send feedback