SCHEMBL5488066

SCHEMBL5488066

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CS

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.84
NR3C1 P04150 8/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
CYP2C19 P33261 2/20 0.84
HSD17B10 Q99714 2/20 0.84
PGR P06401 2/20 0.84
SERPINA6 P08185 2/20 0.84
CYP3A4 P08684 2/20 0.84
NFKB1 P19838 2/20 0.84
MAPT P10636 2/20 0.84
SHBG P04278 1/20 0.84
NR3C2 P08235 1/20 0.84
KMT2A Q03164 1/20 0.84
LMNA P02545 2/20 0.78
AR P10275 1/20 0.77
CHRM1 P11229 1/20 0.77
PMP22 Q01453 1/20 0.69
TSHR P16473 1/20 0.69
POLB P06746 1/20 0.68
GAA P10253 1/20 0.68

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
SCHEMBL19327149 1.00 HIF1A (0.84) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL4983 1.00 HIF1A (0.84) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL19465688 0.91 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL22476662 0.91 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL1560948 0.91 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL24900238 0.91 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL6932400 0.91 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL14513165 0.91 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL143923 0.91 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL1688689 0.91 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10

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
US-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase EPIGENESIS PHARMACEUTICALS, LLC 2007-01-25 US claimed
EP-1200096-B1 TIXOCORTOL PIVALATE SUSPENSION, MOUTH-WASH BASED THEREON AND PACKAGING CONTAINING SAME WARNER LAMBERT CO (US) 2004-06-16 EP disclosed
EP-0452914-B1 21-Substituted pregnane derivatives KAO CORP (JP) 1996-07-10 EP disclosed
US-5116829-A 21-Substituted, Antiinflammatory Agents, Antiallergens, Rheumatism KAO CORPORATION (JP) 1992-05-26 US disclosed
EP-0452914-A2 21-Substituted pregnane derivatives KAO CORPORATION (JP) 1991-10-23 EP 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-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase RECQL, GSS, DDX17 HIF1A 1076/4885NR3C1 104/4885SMN1; SMN2 3963/4885

“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.