SCHEMBL2006834

SCHEMBL2006834

COc1cc(C(C)C(=O)O)ccc1Oc1ccc2[nH]c(C)cc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.45
AKR1C3 P42330 10/20 0.41
AKR1C2 P52895 10/20 0.41
PTGS1 P23219 3/20 0.41
MEN1 O00255 1/20 0.41
ABCC4 O15439 1/20 0.41
C5 P01031 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP3A4 P08684 1/20 0.40
ACHE P22303 1/20 0.40
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2008369 0.82 PTGS2 (0.49) PTGS2AKR1C3AKR1C2PTGS1MEN1
SCHEMBL12570797 0.79 CYP3A4 (0.60) AKR1C2MEN1MAPTKMT2ACYP3A4
SCHEMBL5122373 0.74 ACHE (0.61) PTGS2AKR1C3AKR1C2PTGS1KMT2A
SCHEMBL14032691 0.74 ACHE (0.61) PTGS2AKR1C3AKR1C2PTGS1KMT2A
SCHEMBL490776 0.74 ACHE (0.61) PTGS2AKR1C3AKR1C2PTGS1KMT2A
Hydrochloric Acid SCHEMBL3225395 0.72 ACHE (0.59) PTGS2AKR1C3AKR1C2PTGS1KMT2A
SCHEMBL2367665 0.70 ALDH1A1 (0.57) PTGS2AKR1C3AKR1C2PTGS1MEN1
SCHEMBL3315336 0.70 AKR1C3 (0.56) PTGS2AKR1C3AKR1C2PTGS1CYP3A4
SCHEMBL16865533 0.68 AKR1C3 (0.62) PTGS2AKR1C3AKR1C2PTGS1ACHE
SCHEMBL3677141 0.68 AKR1C3 (0.62) PTGS2AKR1C3AKR1C2PTGS1ACHE

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 5 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
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP 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 PTGS2 59/4885AKR1C3 283/4885AKR1C2 511/4885

“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.