SCHEMBL6859132

SCHEMBL6859132

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.76
AR P10275 4/20 0.76
ADORA3 P0DMS8 2/20 0.76
CHRM1 P11229 1/20 0.76
ADRA1A P35348 1/20 0.76
NR3C1 P04150 12/20 0.70
HIF1A Q16665 5/20 0.70
CYP3A4 P08684 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
ALDH1A1 P00352 2/20 0.70
CYP1A2 P05177 1/20 0.70
ABCB11 O95342 1/20 0.70
MAPT P10636 1/20 0.70
RAB9A P51151 1/20 0.70
NR1I2 O75469 1/20 0.69
NR3C2 P08235 1/20 0.69
MEN1 O00255 1/20 0.69
USP2 O75604 1/20 0.69
KMT2A Q03164 1/20 0.69
LMNA P02545 1/20 0.62

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
SCHEMBL5501195 0.96 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL11121923 0.96 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL11121922 0.96 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL11881537 0.96 NR3C1 (0.75) PGRARADORA3CHRM1ADRA1A
SCHEMBL12538650 0.94 PGR (0.74) PGRARADORA3CHRM1ADRA1A
SCHEMBL8199253 0.94 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL10907302 0.94 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL13326217 0.94 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL8199259 0.94 PGR (0.86) PGRARADORA3CHRM1ADRA1A
SCHEMBL10598759 0.93 PGR (0.73) PGRARADORA3CHRM1ADRA1A

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 2 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

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 707/4885AR 447/4885ADORA3 1679/4885

“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.