SCHEMBL10328159

SCHEMBL10328159

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.81
ESR1 P03372 5/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
ADORA3 P0DMS8 2/20 0.81
ATM Q13315 2/20 0.81
PGR P06401 2/20 0.81
AR P10275 2/20 0.81
SLC6A3 Q01959 2/20 0.81
CHRM1 P11229 1/20 0.81
TBXA2R P21731 1/20 0.81
ADRA1A P35348 1/20 0.81
OPRM1 P35372 1/20 0.81
NR3C1 P04150 2/20 0.74
SHBG P04278 2/20 0.74
SLC6A4 P31645 2/20 0.74
HTR2B P41595 2/20 0.74
KMT2A Q03164 2/20 0.74
FYN P06241 1/20 0.74
ADRA2C P18825 1/20 0.74
SLC6A2 P23975 1/20 0.74

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
SCHEMBL28792822 0.91 LMNA (0.86) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL10201260 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL13712636 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL20874461 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL2099105 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL148561 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL28792824 0.90 ESR1 (0.88) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL29575955 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL9273489 0.89 LMNA (0.83) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL6862943 0.88 MAPT (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772878-B2 Demethylpenclomedine analogs and their use as anti-cancer agents DEKK-TEC, INC. (US) 2020-09-15 US disclosed
US-9422241-B2 Demethylpenclomedine analogs and their use as anti-cancer agents DEKK-TEC, INC. (US) 2016-08-23 US disclosed
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 US disclosed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 WO disclosed
US-20120177634-A1 DEMETHYLPENCLOMEDINE ANALOGS AND THEIR USE AS ANTI-CANCER AGENTS DEKK-TEC, INC. 2012-07-12 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-10772878-B2 Demethylpenclomedine analogs and their use as anti-cancer agents MCL1, DNMT1, MYC LMNA 1636/4885ESR1 2112/4885SMN1; SMN2 1513/4885
US-20120177634-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.