SCHEMBL22088949

SCHEMBL22088949

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)c1ccc(N)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.78
▸ HIF1A Q16665 4/20 0.78
▸ LMNA P02545 2/20 0.70
▸ NR3C1 P04150 11/20 0.70
▸ CYP3A4 P08684 3/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ AR P10275 2/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ TNF P01375 1/20 0.70
▸ IL6 P05231 1/20 0.70
▸ SERPINA6 P08185 1/20 0.70
▸ NR3C2 P08235 1/20 0.70
▸ GLUL P15104 1/20 0.70
▸ ADAM17 P78536 1/20 0.70
▸ GPBAR1 Q8TDU6 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ KMT2A Q03164 2/20 0.59
▸ F2 P00734 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ CYP2D6 P10635 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
SCHEMBL13692183 0.92 PGR (0.78) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL4103929 0.91 PGR (0.75) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL15806596 0.89 PGR (0.72) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL9426742 0.88 PGR (0.85) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13694213 0.88 HIF1A (0.71) PGRHIF1ALMNANR3C1CYP3A4
Prednisolone Acetate SCHEMBL8000 0.88 HIF1A (1.00) PGRHIF1ALMNANR3C1CYP3A4
Prednisolone Acetate SCHEMBL13044467 0.88 HIF1A (1.00) PGRHIF1ALMNANR3C1CYP3A4
Prednisolone Acetate SCHEMBL7999 0.88 HIF1A (1.00) PGRHIF1ALMNANR3C1CYP3A4
Prednisolone Acetate SCHEMBL10118889 0.88 HIF1A (1.00) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13692238 0.87 HIF1A (0.70) 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-20200179404-A1 SKIN CARE FORMULATIONS AND SKIN CANCER TREATMENT REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-06-11 — — 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-20200179404-A1 SKIN CARE FORMULATIONS AND SKIN CANCER TREATMENT TP53RK, PRP4K, TP53 PGR 1039/4885HIF1A 1995/4885LMNA 3530/4885

“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.

Send feedback