SCHEMBL16812944

SCHEMBL16812944

C[C@@H]1[C@H](C)[C@H](C)OC(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.42
LGALS1 P09382 1/20 0.42
LGALS3 P17931 1/20 0.42
LGALS7; LGALS7B P47929 1/20 0.42
BCHE P06276 1/20 0.41
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR3E A5X5Y0 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
SCHEMBL12618618 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL26823580 0.92 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL16812938 0.92 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL18925430 0.90 LGALS9 (0.38) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL15745912 0.90 ABCB1 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL16812935 0.89 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL4546244 0.89 LGALS9 (0.36) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL4546330 0.89 LGALS9 (0.36) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL26453845 0.89 LGALS9 (0.36) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE
SCHEMBL26453842 0.89 LGALS9 (0.36) LGALS9LGALS1LGALS3LGALS7; LGALS7BBCHE

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-9829481-B2 Senescence tracers EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2017-11-28 US disclosed
US-20150168374-A1 SENESCENCE TRACERS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2015-06-18 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-20150168374-A1 SENESCENCE TRACERS AGER, FUCA1, FUCA2 LGALS9 557/4885LGALS1 49/4885LGALS3 82/4885

“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.