SCHEMBL3910141

SCHEMBL3910141

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.72
NR3C1 P04150 1/20 0.49
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM1A O60341 1/20 0.41
BCL2 P10415 1/20 0.40
ADRA2A P08913 1/20 0.39
BACE1 P56817 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.38
METAP1 P53582 1/20 0.38
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL12272913 0.92 AR (0.63) ARNR3C1ALDH1A1LMNAKDM1A
SCHEMBL12272588 0.92 AR (0.63) ARNR3C1ALDH1A1LMNAKDM1A
SCHEMBL12273326 0.92 AR (0.63) ARNR3C1ALDH1A1LMNAKDM1A
SCHEMBL6565555 0.90 AR (0.69) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL6249986 0.88 AR (0.67) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL3910326 0.85 AR (0.67) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL3288674 0.84 AR (1.00) ARNR3C1BACE1
SCHEMBL3284203 0.84 AR (0.65) ARNR3C1ALDH1A1LMNACYP3A4
SCHEMBL3284563 0.84 AR (1.00) ARNR3C1BACE1
SCHEMBL3901361 0.83 AR (0.70) ARNR3C1ALDH1A1LMNACYP3A4

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 12 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-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-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-20070129410-A1 Octahydrophenanthrene hydrazinde derivatives useful as glucocorticoid receptor modulators PFIZER INC. 2007-06-07 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-1685110-A1 OCTAHYDROPHENANTHRENE HYDRAZIDE DERIVATIVES USEFUL AS GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2006-08-02 EP disclosed
WO-2005047254-A1 OCTAHYDROPHENANTHRENE HYDRAZINDE DERIVATIVES USEFUL AS GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-05-26 WO 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 (3 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 1/4885ALDH1A1 999/4885
US-20070129410-A1 Octahydrophenanthrene hydrazinde derivatives useful as glucocorticoid receptor modulators NR3C1, MC2R, NR3C2 AR 162/4885NR3C1 1/4885ALDH1A1 966/4885
US-20040138262-A1 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders NR3C1, MC2R, FPR1 AR 562/4885NR3C1 1/4885ALDH1A1 1613/4885

“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.