SCHEMBL22925322

SCHEMBL22925322

CCOCCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H](O)CC[C@@H]23)c2ccc(O)cc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.78
ESR1 P03372 6/20 0.69
ESR2 Q92731 4/20 0.69
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B1 P14061 1/20 0.53
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC22A1 O15245 1/20 0.52
AKR1B10 O60218 1/20 0.52
SLC22A3 O75751 1/20 0.52
ABCB11 O95342 1/20 0.52
ESRRB O95718 1/20 0.52

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
SCHEMBL12544797 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL20990401 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL12690918 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL18798668 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL2840052 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL18104337 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL20626542 0.93 CYP19A1 (0.80) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL2841485 0.92 CYP19A1 (0.81) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL12574644 0.92 CYP19A1 (0.81) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL12574723 0.92 CYP19A1 (0.85) CYP19A1ESR1ESR2LMNASMN1; SMN2

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-20210024568-A1 METHODS FOR MODULATION OF LIPOPROTEIN LIPASE AND APOLIPOPROTEIN C2 EXPRESSION AND/OR ACTIVITY IN THE TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM TISSUE DISEASE STATES ENDECE LLC 2021-01-28 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-20210024568-A1 METHODS FOR MODULATION OF LIPOPROTEIN LIPASE AND APOLIPOPROTEIN C2 EXPRESSION AND/OR ACTIVITY IN THE TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM TISSUE DISEASE STATES LPL, LIPE, PMP22 CYP19A1 236/4885ESR1 623/4885ESR2 59/4885

“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.