SCHEMBL1789834

SCHEMBL1789834

CC(Cc1ccc(F)cc1OC[C@@H]1CO1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
VDR P11473 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4715136 0.81 ALDH1A1 (0.44) ALDH1A1GLATDP1VDRTP53
SCHEMBL3136895 0.81 ALDH1A1 (0.44) ALDH1A1GLATDP1VDRTP53
SCHEMBL1790123 0.77 ALDH1A1 (0.49) ALDH1A1GLATDP1VDRTP53
SCHEMBL1789839 0.76 ALDH1A1 (0.43) ALDH1A1GLAPTGER1PTGER4PTGER3
SCHEMBL1789837 0.76 ALDH1A1 (0.43) ALDH1A1GLAHDAC3HDAC1HDAC2
SCHEMBL6206991 0.75 ALDH1A1 (0.46) ALDH1A1GLATDP1VDRTP53
SCHEMBL6980381 0.73 ALDH1A1 (0.48) ALDH1A1GLATDP1VDRTP53
SCHEMBL11591185 0.73 TDP1 (0.51) ALDH1A1PPARDPPARATDP1TP53
SCHEMBL568467 0.73 ALDH1A1 (0.49) ALDH1A1GLAVDRTP53CYP3A4
SCHEMBL567908 0.73 ALDH1A1 (0.49) ALDH1A1GLAVDRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2120935-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008103126-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 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-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 ALDH1A1 1412/4885GLA 3139/4885PTGER1 69/4885

“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.