SCHEMBL4354611

SCHEMBL4354611

C=C(C)Cn1cc(-c2nc(C(=O)O)co2)c2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
KRAS P01116 5/20 0.37
KMT2A Q03164 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
PDE4B Q07343 1/20 0.34
AKR1A1 P14550 2/20 0.34
AKR1B1 P15121 2/20 0.34
PTGER1 P34995 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL4357082 0.88 ALDH1A1 (0.41) KMT2APDE4BMAPT
SCHEMBL3595139 0.84 PTGER1 (0.41) PTGDR2KMT2AADRB2ADRB1ADRB3
SCHEMBL4354618 0.83 KDM4E (0.36) PTGDR2KMT2AADRB2ADRB1ADRB3
SCHEMBL3591440 0.82 CNR1 (0.46) KDM4C
SCHEMBL4357106 0.79 CNR1 (0.47) PDE4BKDM4C
SCHEMBL4362553 0.79 PTGDR2 (0.39) PTGDR2KMT2AADRB2ADRB1ADRB3
SCHEMBL3594920 0.76 PTGER1 (0.41) PDE4BPTGER1MAPTHDAC1HDAC8
SCHEMBL3592829 0.76 ICMT (0.41) PDE4BPTGER1
SCHEMBL3590472 0.74 KDM4E (0.40) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL4037157 0.73 ICMT (0.41) ADRB2ADRB1ADRB3PDE4BPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 PTGDR2 8/4885KRAS 3598/4885KMT2A 2655/4885

“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.