SCHEMBL22267490

SCHEMBL22267490

C[C@H]1CC2C(CC[C@]3(C)C(OC4CCCCO4)CCC23)c2ccc(OC3CCCCO3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
CYP19A1 P11511 5/20 0.46
ESR1 P03372 3/20 0.37
CYP3A4 P08684 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
STS P08842 2/20 0.37
ABCC4 O15439 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL12696810 1.00 HSD11B1 (0.56) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL13248991 0.90 HSD11B1 (0.60) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL3648160 0.90 HSD11B1 (0.60) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL6369241 0.90 HSD11B1 (0.60) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL17177040 0.90 HSD11B1 (0.60) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL20626551 0.88 HSD11B1 (0.56) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL12693775 0.88 HSD11B1 (0.53) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL20626553 0.88 HSD11B1 (0.56) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL14190664 0.88 HSD11B1 (0.56) HSD11B1CYP19A1ESR1CYP3A4MAPT
SCHEMBL806083 0.88 HSD11B1 (0.56) HSD11B1CYP19A1ESR1CYP3A4MAPT

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-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
US-10723757-B2 6-substituted estradiol derivatives and methods of use ENDECE LLC (US) 2020-07-28 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 (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-10723757-B2 6-substituted estradiol derivatives and methods of use SHBG, HSD17B11, CYP19A1 HSD11B1 55/4885CYP19A1 3/4885ESR1 5/4885
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 HSD11B1 594/4885CYP19A1 236/4885ESR1 623/4885

“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.