SCHEMBL3596003

SCHEMBL3596003

CC(C)Cn1cc(C(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.46
PLK1 P53350 4/20 0.43
KMT2A Q03164 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MYC P01106 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2644030 0.89 CPT1A (0.44) ICMTPLK1F7F3CNR1
SCHEMBL3588680 0.89 ICMT (0.46) ICMTKMT2ACNR1CNR2POLB
SCHEMBL3585665 0.88 ICMT (0.50) ICMTCNR1CNR2POLBKCNH2
SCHEMBL13619970 0.86 KMT2A (0.44) KMT2ACNR1CNR2PTGDR2CA1
SCHEMBL4035309 0.84 ICMT (0.51) ICMTPLK1KMT2ACNR1
SCHEMBL3139926 0.84 PLK1 (0.43) PLK1KMT2AF7F3CNR1
SCHEMBL12485507 0.84 KDM4E (0.54) KMT2ACNR1CNR2PTGDR2CA1
SCHEMBL3591554 0.83 ALDH1A1 (0.44) ICMTKMT2ACNR1CNR2POLB
SCHEMBL20769701 0.81 ICMT (0.57) ICMTPLK1PTGDR2
SCHEMBL5069182 0.80 PLK1 (0.64) PLK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 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
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO 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 (2 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 ICMT 946/4885PLK1 3214/4885KMT2A 2655/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 ICMT 441/4885PLK1 528/4885KMT2A 1707/4885

“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.