SCHEMBL5983440

SCHEMBL5983440

CCCC[Sn](/C=C\[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C)(CCCC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PGR P06401 2/20 0.56
SLC6A3 Q01959 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
ATM Q13315 1/20 0.56
ESR2 Q92731 2/20 0.53
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
STS P08842 10/20 0.49
NR3C1 P04150 3/20 0.49
NR3C2 P08235 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL2677733 1.00 ESR1 (0.56) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL10599506 0.91 ESR1 (0.63) ESR1LMNAPGRSLC6A3ESR2
SCHEMBL10631994 0.91 ESR1 (0.63) ESR1LMNAPGRSLC6A3ESR2
SCHEMBL10605315 0.90 ESR1 (0.59) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL10631976 0.90 ESR1 (0.59) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL10632047 0.87 STS (0.65) ESR1PGRSLC6A3ADORA3AR
SCHEMBL8647143 0.87 STS (0.65) ESR1PGRSLC6A3ADORA3AR
SCHEMBL10602626 0.87 STS (0.65) ESR1PGRSLC6A3ADORA3AR
SCHEMBL10629851 0.87 STS (0.65) ESR1PGRSLC6A3ADORA3AR
SCHEMBL9597951 0.84 ESR1 (0.62) ESR1LMNASMN1; SMN2PGRSLC6A3

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-20060025394-A1 Estradiol-related compounds and methods of use as anti-tumor agents HO SHUK-MEI 2006-02-02 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 (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-20060025394-A1 Estradiol-related compounds and methods of use as anti-tumor agents ESR2, ESR1, ESRRB ESR1 2/4885LMNA 2577/4885SMN1; SMN2 4818/4885

“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.