SCHEMBL6859039

SCHEMBL6859039

CCCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[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 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.61
▸ PGR P06401 7/20 0.61
▸ NR3C1 P04150 7/20 0.61
▸ HIF1A Q16665 4/20 0.61
▸ ABCB11 O95342 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ NR1I2 O75469 2/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ AR P10275 2/20 0.57
▸ F2 P00734 1/20 0.53
▸ USP2 O75604 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6859043 1.00 CYP3A4 (0.61) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL11246597 0.92 PGR (0.70) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL11127297 0.92 PGR (0.70) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL11246599 0.92 PGR (0.70) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL9807832 0.92 PGR (0.54) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL9807826 0.92 PGR (0.54) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL10427789 0.91 PGR (0.64) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL10427790 0.91 PGR (0.64) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL7596820 0.89 PGR (0.61) CYP3A4PGRNR3C1HIF1AABCB11
SCHEMBL11122100 0.88 PGR (0.69) CYP3A4PGRNR3C1HIF1AABCB11

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 CYP3A4 246/4885PGR 707/4885NR3C1 1/4885

“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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