SCHEMBL3966916

SCHEMBL3966916

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.65
AR P10275 3/20 0.65
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
ESR2 Q92731 13/20 0.44
ESR1 P03372 10/20 0.43
PGR P06401 1/20 0.39
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL3283581 1.00 NR3C1 (0.65) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL3901361 0.83 AR (0.70) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL3910326 0.83 AR (0.67) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL3287135 0.81 AR (0.86) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL6247392 0.79 AR (0.64) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL3284537 0.79 AR (1.00) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL3291858 0.79 AR (1.00) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL3284291 0.77 AR (0.79) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL12457481 0.76 AR (0.60) NR3C1ARALDH1A1LMNACYP3A4
SCHEMBL12272590 0.76 AR (0.60) NR3C1ARALDH1A1LMNACYP3A4

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 NR3C1 1/4885AR 162/4885ALDH1A1 999/4885
US-20040138262-A1 Antiinflammatory agents; antiallergens; vision defects; anticancer agents; gastrointestinal disorders NR3C1, MC2R, FPR1 NR3C1 1/4885AR 562/4885ALDH1A1 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.