SCHEMBL1258796

SCHEMBL1258796

C[C@@]12CCCC[C@H]1[C@@H]1CCc3ccccc3[C@H]1CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.64
STS P08842 7/20 0.55
AKR1C3 P42330 3/20 0.53
HSD17B1 P14061 3/20 0.45
ESR1 P03372 5/20 0.41
HSD17B10 Q99714 4/20 0.41
ESR2 Q92731 4/20 0.41
LMNA P02545 3/20 0.41
AKR1B10 O60218 2/20 0.41
CYP1A2 P05177 2/20 0.41
PGR P06401 2/20 0.41
SERPINA6 P08185 2/20 0.41
CYP3A4 P08684 2/20 0.41
AR P10275 2/20 0.41
MAPT P10636 2/20 0.41
AKR1B1 P15121 2/20 0.41
SLC6A4 P31645 2/20 0.41
SNCA P37840 2/20 0.41
HTR2B P41595 2/20 0.41
BLM P54132 2/20 0.41

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
SCHEMBL29446097 0.96 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL975788 0.96 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL30887214 0.96 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL13725675 0.96 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL11096655 0.96 SHBG (0.70) SHBGSTSAKR1C3HSD17B1ESR1
Sulfamate SCHEMBL2451788 0.86 STS (0.65) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL7703001 0.84 SHBG (0.56) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL7043293 0.84 STS (0.59) SHBGSTSAKR1C3HSD17B1CYP2C9
SCHEMBL1257193 0.82 SHBG (0.59) SHBGSTSHSD17B1ESR1HSD17B10
Serine SCHEMBL11346267 0.80 SHBG (0.54) SHBGSTSAKR1C3HSD17B1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42132-E1 have special action with respect to tubulin polymerization inhibition and can be used for treating prostate cancer, breast cancer, colon cancer, non-small-cell-lung cancer, or primary dermal microvascular endothelial cell proliferation; 2-methoxy-17a-oxo-17a-homoestra-1,3,5(10)-trien-3-yl sulfamate STERIX LIMITED (GB) 2011-02-08 US disclosed
US-7244762-B2 For therapy of prostate cancer STERIX LIMITED (GB) 2007-07-17 US disclosed
US-20060154985-A1 Antitumoral d-homoestra-1,3,5 (10)-trien-3-yl 2-substituted sulfamates STERIX LIMITED (GB) 2006-07-13 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-20060154985-A1 Antitumoral d-homoestra-1,3,5 (10)-trien-3-yl 2-substituted sulfamates TUBB1, TUBA1A, TUBB3 SHBG 30/4885STS 27/4885AKR1C3 338/4885

“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.