SCHEMBL3910326

SCHEMBL3910326

C=CC[C@]12CCC(=O)C=C1CCc1cc(OC)ccc12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
NR3C1 P04150 1/20 0.46
ADRA2A P08913 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM1A O60341 1/20 0.38
METAP1 P53582 2/20 0.37
BACE1 P56817 1/20 0.37
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL3284203 0.87 AR (0.65) ARNR3C1ADRA2AALDH1A1LMNA
SCHEMBL3910141 0.85 AR (0.72) ARNR3C1ADRA2AALDH1A1LMNA
SCHEMBL3283581 0.83 NR3C1 (0.65) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL6565555 0.83 AR (0.69) ARNR3C1ADRA2AALDH1A1LMNA
SCHEMBL3966916 0.83 NR3C1 (0.65) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL6249986 0.81 AR (0.67) ARNR3C1ADRA2AALDH1A1LMNA
SCHEMBL3288674 0.80 AR (1.00) ARNR3C1BACE1MAOB
SCHEMBL3284563 0.80 AR (1.00) ARNR3C1BACE1MAOB
SCHEMBL12273326 0.78 AR (0.63) ARNR3C1ADRA2AALDH1A1LMNA
SCHEMBL12272913 0.78 AR (0.63) ARNR3C1ADRA2AALDH1A1LMNA

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
EP-1521733-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR PFIZER PROD INC (US) 2014-08-20 EP disclosed
US-7553877-B2 Use of 2-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene compounds glucocorticoid receptor agonists to treat certain inflammatory conditions such as arthritis, asthma PFIZER, INC. (US) 2009-06-30 US disclosed
US-7138406-B2 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders PFIZER, INC. (US) 2006-11-21 US disclosed
US-20060247264-A1 Use of 2-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene compounds glucocorticoid receptor agonists to treat certain inflammatory conditions such as arthritis, asthma PFIZER INC 2006-11-02 US disclosed
EP-1521733-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR Pfizer Products Inc. (US) 2005-04-13 EP disclosed
US-20040138262-A1 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders PFIZER INC. 2004-07-15 US disclosed
WO-2004005229-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR PFIZER PRODUCTS INC. (US) 2004-01-15 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 (2 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-20060247264-A1 Use of 2-hydroxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene compounds glucocorticoid receptor agonists to treat certain inflammatory conditions such as arthritis, asthma NR3C1, NR3C2, LTB4R2 AR 162/4885NR3C1 1/4885ADRA2A 112/4885
US-20040138262-A1 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders NR3C1, MC2R, FPR1 AR 562/4885NR3C1 1/4885ADRA2A 196/4885

“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.