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Sugi Predict / Compounds / SCHEMBL2006635

SCHEMBL2006635

SCHEMBL2006635

CCOC(=O)Cc1ccc(Oc2ccc3[nH]c(C)cc3c2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ DRD2 P14416 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ PTGDR Q13258 2/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RIN1 Q13671 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
SCHEMBL2001379 0.90 ALDH1A1 (0.41) CYP3A4DRD2TTRMAPTKDM4E
SCHEMBL2000728 0.90 DRD2 (0.39) CYP3A4DRD2TTRMAPTKDM4E
SCHEMBL2004735 0.89 CYP3A4 (0.56) CYP3A4TTRMAPTKDM4EALDH1A1
SCHEMBL12628073 0.88 PTGDR (0.39) CYP3A4DRD2TTRMAPTKDM4E
SCHEMBL12628215 0.82 CYP3A4 (0.47) CYP3A4DRD2MAPTKDM4EALDH1A1
SCHEMBL2006831 0.82 MAPT (0.46) CYP3A4TTRMAPTKDM4EALDH1A1
SCHEMBL14015527 0.82 MAPT (0.42) CYP3A4TTRMAPTKDM4EALDH1A1
SCHEMBL2010090 0.81 FBP1 (0.43) CYP3A4TTRMAPTKDM4EALDH1A1
SCHEMBL2007357 0.80 MAPT (0.41) CYP3A4TTRMAPTKDM4EALDH1A1
SCHEMBL2012915 0.80 ALDH1A1 (0.46) DRD2TTRMAPTALDH1A1PTGDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 — — EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 — — US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 — — US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 — — US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 — — US disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 — — 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 (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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP CYP3A4 659/4885DRD2 4195/4885TTR 4580/4885

“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.