SCHEMBL6857093

SCHEMBL6857093

CCCC(=O)O[C@@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.72
NR3C1 P04150 6/20 0.72
PGR P06401 6/20 0.72
HIF1A Q16665 6/20 0.68
HSD17B10 Q99714 3/20 0.68
CYP3A4 P08684 3/20 0.68
ABCB11 O95342 3/20 0.68
AR P10275 2/20 0.68
TNF P01375 1/20 0.68
IL6 P05231 1/20 0.68
SERPINA6 P08185 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
LMNA P02545 3/20 0.68
CYP2C9 P11712 2/20 0.68
USP2 O75604 1/20 0.68
CYP2D6 P10635 1/20 0.68
KMT2A Q03164 1/20 0.67

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
SCHEMBL6857090 1.00 NR3C2 (0.72) NR3C2NR3C1PGRHIF1AHSD17B10
SCHEMBL11016342 1.00 NR3C2 (0.72) NR3C2NR3C1PGRHIF1AHSD17B10
Prednival SCHEMBL11585728 0.96 HIF1A (0.73) NR3C2NR3C1PGRHIF1AHSD17B10
Prednival SCHEMBL25387 0.96 HIF1A (0.73) NR3C2NR3C1PGRHIF1AHSD17B10
Prednival SCHEMBL25388 0.96 HIF1A (0.73) NR3C2NR3C1PGRHIF1AHSD17B10
Prednival SCHEMBL2966212 0.96 HIF1A (0.73) NR3C2NR3C1PGRHIF1AHSD17B10
Prednival SCHEMBL2966209 0.96 HIF1A (0.73) NR3C2NR3C1PGRHIF1AHSD17B10
SCHEMBL7984 0.94 NR3C2 (0.74) NR3C2NR3C1PGRHIF1AHSD17B10
SCHEMBL7142733 0.94 NR3C2 (0.74) NR3C2NR3C1PGRHIF1AHSD17B10
SCHEMBL7613014 0.94 NR3C2 (0.74) NR3C2NR3C1PGRHIF1AHSD17B10

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
JP-54130548-A None JP disclosed
US-6835724-B2 Topical antiinflammatory agents for treating inflammatory dermatoses AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-28 US disclosed
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-01 US disclosed
JP-S54130548-A PREDNISOLONE DERIVATIVE TAISHO PHARMACEUT CO LTD 1979-10-09 JP disclosed
US-3998701-A Process for the preparation of 17-acyl esters of 17α, 21-dihydroxysteroids of the pregnane series and novel products LARK S.P.A. (IT) 1976-12-21 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-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS NR3C1, HSD3B1, HSD17B7 NR3C2 5/4885NR3C1 1/4885PGR 707/4885

“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.