SCHEMBL18798683

SCHEMBL18798683

C[C@]12CCC3c4ccc(OC5CCCCO5)cc4CCC3C1CCC2OC1CCCCO1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.78
MAPT P10636 4/20 0.54
CYP3A4 P08684 4/20 0.54
STS P08842 3/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
ESR1 P03372 2/20 0.54
TP53 P04637 2/20 0.54
ABCC4 O15439 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 4/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 1/20 0.50
ABCC1 P33527 2/20 0.49

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
SCHEMBL806082 1.00 HSD11B1 (0.78) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL3649589 1.00 HSD11B1 (0.78) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL796274 0.89 HSD11B1 (0.61) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL13268578 0.88 HSD11B1 (1.00) HSD11B1MAPTCYP3A4STSESR1
SCHEMBL4590174 0.85 HSD11B1 (0.64) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL11877226 0.84 HSD11B1 (0.56) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL12696810 0.84 HSD11B1 (0.56) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL22267490 0.84 HSD11B1 (0.56) HSD11B1MAPTCYP3A4STSCA1
SCHEMBL10619181 0.84 HSD11B1 (0.76) HSD11B1MAPTCYP3A4STSESR1
SCHEMBL4587946 0.84 HSD11B1 (0.71) HSD11B1MAPTSTSESR1ABCC4

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-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
US-20190135853-A1 6-Substituted Estradiol Derivatives and Methods of Use ENDECE LLC 2019-05-09 US disclosed
US-10174070-B2 6-substituted estradiol derivatives and methods of use ENDECE LLC (US) 2019-01-08 US disclosed
US-9636348-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2017-05-02 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 (4 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 55/4885MAPT 255/4885CYP3A4 64/4885
US-20190135853-A1 6-Substituted Estradiol Derivatives and Methods of Use SHBG, HSD17B11, CYP19A1 HSD11B1 55/4885MAPT 255/4885CYP3A4 64/4885
US-10174070-B2 6-substituted estradiol derivatives and methods of use NR3C2, SHBG, NR5A1 HSD11B1 46/4885MAPT 2929/4885CYP3A4 587/4885
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 594/4885MAPT 2201/4885CYP3A4 2184/4885

“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.