SCHEMBL6856646

SCHEMBL6856646

CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.71
NR3C1 P04150 6/20 0.71
CYP3A4 P08684 5/20 0.71
HIF1A Q16665 5/20 0.71
HSD17B10 Q99714 3/20 0.71
ABCB11 O95342 2/20 0.71
ALDH1A1 P00352 1/20 0.71
ABCC4 O15439 1/20 0.71
NR1I2 O75469 1/20 0.71
PDE4D Q08499 1/20 0.71
AR P10275 4/20 0.62
F2 P00734 1/20 0.62
NR3C2 P08235 5/20 0.58
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
KMT2A Q03164 1/20 0.50
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
SCHEMBL10904456 1.00 PGR (0.71) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10527423 1.00 PGR (0.71) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL6856651 1.00 PGR (0.71) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL13524488 0.95 PGR (0.66) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10903228 0.94 HIF1A (0.69) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10903226 0.94 HIF1A (0.69) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10901520 0.93 PGR (0.68) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10944492 0.92 PGR (0.67) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10944496 0.92 PGR (0.67) PGRNR3C1CYP3A4HIF1AHSD17B10
SCHEMBL10910516 0.92 PGR (0.67) PGRNR3C1CYP3A4HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0693080-B1 NEW GLUCOCORTICOIDS SCHERING AG (DE) 1998-04-22 EP disclosed
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 WO 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 PGR 707/4885NR3C1 1/4885CYP3A4 246/4885

“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.