SCHEMBL31249852

SCHEMBL31249852

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)OCCCCN

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.75
▸ HIF1A Q16665 5/20 0.75
▸ LMNA P02545 3/20 0.68
▸ NR3C1 P04150 10/20 0.68
▸ CYP3A4 P08684 3/20 0.68
▸ AR P10275 3/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ SERPINA6 P08185 2/20 0.68
▸ ABCB11 O95342 2/20 0.68
▸ TNF P01375 1/20 0.68
▸ IL6 P05231 1/20 0.68
▸ NR3C2 P08235 1/20 0.68
▸ GLUL P15104 1/20 0.68
▸ ADAM17 P78536 1/20 0.68
▸ GPBAR1 Q8TDU6 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KMT2A Q03164 2/20 0.58
▸ USP2 O75604 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57

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
SCHEMBL31249830 0.99 PGR (0.74) PGRHIF1ALMNANR3C1CYP3A4
Hydrochloric Acid SCHEMBL31249800 0.99 PGR (0.74) PGRHIF1ALMNANR3C1CYP3A4
Hydrochloric Acid SCHEMBL31249837 0.98 PGR (0.73) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL23265957 0.91 PGR (0.80) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13655955 0.90 PGR (0.72) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL31249707 0.90 HIF1A (0.79) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL31249779 0.89 HIF1A (0.78) PGRHIF1ALMNANR3C1CYP3A4
Hydrochloric Acid SCHEMBL31249818 0.89 HIF1A (0.78) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL31249774 0.89 HIF1A (0.80) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL1830314 0.89 PGR (0.82) PGRHIF1ALMNANR3C1CYP3A4

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 PGR 831/4885HIF1A 231/4885LMNA 2799/4885

“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.

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