SCHEMBL4354618

SCHEMBL4354618

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
PTGER1 P34995 3/20 0.36
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACLY P53396 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PTGS2 P35354 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3595139 0.90 PTGER1 (0.41) ADRB2ADRB1ADRB3PTGER1KMT2A
SCHEMBL4350902 0.89 ALDH1A1 (0.43) KDM4EKMT2AALDH1A1HPGDALOX15
SCHEMBL4354611 0.83 PTGDR2 (0.38) ADRB2ADRB1ADRB3PTGER1KMT2A
SCHEMBL3594920 0.82 PTGER1 (0.41) PTGER1PDE4BPTGS2HDAC1HDAC8
SCHEMBL3592829 0.81 ICMT (0.41) KDM4EPTGER1PDE4BALDH1A1
SCHEMBL3591440 0.81 CNR1 (0.46) KDM4C
SCHEMBL4362553 0.80 PTGDR2 (0.39) ADRB2ADRB1ADRB3PTGER1KMT2A
SCHEMBL3596646 0.80 ALDH1A1 (0.44) KDM4EPTGER1KMT2AALDH1A1HPGD
SCHEMBL4357106 0.78 CNR1 (0.47) PDE4BKDM4C
SCHEMBL4037157 0.78 ICMT (0.41) ADRB2ADRB1ADRB3PTGER1PDE4B

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 KDM4E 2597/4885ADRB2 28/4885ADRB1 11/4885

“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.