SCHEMBL20101055

SCHEMBL20101055

CCCC(=O)O[C@]1(C(C)=O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.88
LMNA P02545 6/20 0.88
PGR P06401 5/20 0.88
CYP3A4 P08684 5/20 0.88
SMN1; SMN2 Q16637 4/20 0.88
KMT2A Q03164 3/20 0.88
HIF1A Q16665 3/20 0.88
MEN1 O00255 2/20 0.88
ADORA3 P0DMS8 2/20 0.88
MAPT P10636 2/20 0.88
SLC6A3 Q01959 2/20 0.88
NPSR1 Q6W5P4 2/20 0.88
NR1I2 O75469 2/20 0.88
HPGD P15428 1/20 0.88
MLNR O43193 1/20 0.88
HTT P42858 1/20 0.88
PDE4D Q08499 1/20 0.88
PDE3A Q14432 1/20 0.88
AR P10275 3/20 0.70
NR3C2 P08235 4/20 0.63

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
SCHEMBL17519899 0.95 LMNA (0.96) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL16812894 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL5330 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL17517045 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL14649335 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL508890 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL21497316 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
Hydroxyprogesterone Caproate SCHEMBL94788 0.94 LMNA (1.00) NR3C1LMNAPGRCYP3A4SMN1; SMN2
SCHEMBL14656870 0.93 LMNA (0.98) NR3C1LMNAPGRCYP3A4SMN1; SMN2
SCHEMBL5425550 0.93 LMNA (0.98) NR3C1LMNAPGRCYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117024-A1 METHODS FOR INHIBITING PRETERM LABOR AND UTERINE CONTRACTILITY DISORDERS AND PREVENTING CERVICAL RIPENING DIGNITY HEALTH 2018-05-03 US disclosed
US-20180117024-A1 METHODS FOR INHIBITING PRETERM LABOR AND UTERINE CONTRACTILITY DISORDERS AND PREVENTING CERVICAL RIPENING DIGNITY HEALTH 2018-05-03 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-20180117024-A1 METHODS FOR INHIBITING PRETERM LABOR AND UTERINE CONTRACTILITY DISORDERS AND PREVENTING CERVICAL RIPENING PGF, PTGS1, PTGIS NR3C1 177/4885LMNA 55/4885PGR 7/4885

“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.