SCHEMBL31249802

SCHEMBL31249802

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCCCN)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.82
CYP3A4 P08684 5/20 0.77
PGR P06401 4/20 0.77
AR P10275 2/20 0.77
F2 P00734 1/20 0.77
HIF1A Q16665 10/20 0.70
HSD17B10 Q99714 4/20 0.70
ABCB11 O95342 3/20 0.70
ALDH1A1 P00352 2/20 0.70
ABCC4 O15439 1/20 0.70
NR1I2 O75469 1/20 0.70
PDE4D Q08499 1/20 0.70
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.51
TNF P01375 1/20 0.50
IL6 P05231 1/20 0.50

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
Hydrochloric Acid SCHEMBL31249783 0.99 NR3C1 (0.81) NR3C1CYP3A4PGRARF2
SCHEMBL31249747 0.99 NR3C1 (0.81) NR3C1CYP3A4PGRARF2
Hydrochloric Acid SCHEMBL31249697 0.98 NR3C1 (0.80) NR3C1CYP3A4PGRARF2
SCHEMBL31249680 0.98 NR3C1 (0.83) NR3C1CYP3A4PGRARF2
Hydrochloric Acid SCHEMBL31249819 0.97 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL10910221 0.93 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
SCHEMBL10400906 0.92 NR3C1 (0.91) NR3C1CYP3A4PGRARF2
SCHEMBL31249893 0.90 CYP3A4 (0.76) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL7915 0.90 NR3C1 (1.00) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL2482645 0.90 NR3C1 (1.00) NR3C1CYP3A4PGRARF2

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-20240398963-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-12-05 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-20240398963-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF TIE1, KDR, TEK NR3C1 1330/4885CYP3A4 4830/4885PGR 831/4885

“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.