SCHEMBL22728047

SCHEMBL22728047

CC(C)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.79
ESR1 P03372 5/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
ADORA3 P0DMS8 2/20 0.79
ATM Q13315 2/20 0.79
PGR P06401 2/20 0.79
AR P10275 2/20 0.79
SLC6A3 Q01959 2/20 0.79
CHRM1 P11229 1/20 0.79
TBXA2R P21731 1/20 0.79
ADRA1A P35348 1/20 0.79
OPRM1 P35372 1/20 0.79
HSD17B10 Q99714 5/20 0.78
ABCC1 P33527 1/20 0.72
ABCC4 O15439 1/20 0.72
NR3C1 P04150 2/20 0.72
SHBG P04278 2/20 0.72
SLC6A4 P31645 2/20 0.72
HTR2B P41595 2/20 0.72
KMT2A Q03164 2/20 0.72

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
SCHEMBL19841163 0.92 LMNA (0.75) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL7191328 0.90 LMNA (0.72) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL14257109 0.90 LMNA (0.83) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL28792822 0.89 LMNA (0.86) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL6006672 0.89 LMNA (0.78) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL14598794 0.89 LMNA (0.78) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL5029609 0.89 LMNA (0.78) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL980768 0.89 LMNA (0.85) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL7591558 0.89 LMNA (0.81) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL2099105 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM

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-20200375964-A1 DEMETHYLPENCLOMEDINE ANALOGS AND THEIR USE AS ANTI-CANCER AGENTS DEKK-TEC, INC. (US) 2020-12-03 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-20200375964-A1 DEMETHYLPENCLOMEDINE ANALOGS AND THEIR USE AS ANTI-CANCER AGENTS MCL1, DNMT1, MYC LMNA 1636/4885ESR1 2112/4885SMN1; SMN2 1513/4885

“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.