SCHEMBL5657362

SCHEMBL5657362

O=C(O)C1=Cc2ccc3ccccc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LDHA P00338 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 5/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL1772326 0.73 CA12 (0.49) WDR5CA12CA9LDHANR4A1
SCHEMBL11666181 0.73 CYP1A2 (0.43) WDR5CA12CA9ALDH1A1KDM4E
SCHEMBL7094614 0.72 HSD17B10 (0.38) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL3056466 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDGLA
SCHEMBL11376278 0.71 KDM4E (0.42) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL30388791 0.70 TRPA1 (0.49) CA12CA9NR4A1NR4A2NR4A3
SCHEMBL31381442 0.69 ALDH1A1 (0.39) CA12CA9ALDH1A1KDM4EHSD17B10
SCHEMBL11666847 0.69 KDM4E (0.45) WDR5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29906826 0.67 MAOA (0.59) CA12CA9ALDH1A1CYP1A2TSHR
SCHEMBL994781 0.67 CES1 (0.47) ALDH1A1KDM4EHSD17B10HPGDGLA

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
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US disclosed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US disclosed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 US disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R WDR5 1146/4885CA12 4772/4885CA9 4183/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R WDR5 1147/4885CA12 4774/4885CA9 4177/4885

“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.