SCHEMBL1735896

SCHEMBL1735896

C=C(C(=O)OCC)c1c(OC)cccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
PLIN1 O60240 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PLIN5 Q00G26 1/20 0.51
KMT2A Q03164 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
TSHR P16473 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL27622004 0.90 TSHR (0.46) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL28298575 0.86 ALDH1A1 (0.47) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL1978696 0.84 PTPN1 (0.43) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL28207844 0.84 MAPT (0.48) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL1736009 0.83 MAPT (0.54) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL30364396 0.82 MAPT (0.57) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL4779721 0.82 MAPT (0.57) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL10455857 0.79 CA12 (0.63) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL28094327 0.78 MAPT (0.46) MAPTMEN1LMNAKMT2ATSHR
SCHEMBL27910594 0.78 CASP1 (0.54) MAPTMEN1LMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 EP disclosed
US-20110262430-A1 NOVEL ANTIBODIES ELLIS JONATHAN HENRY 2011-10-27 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 US disclosed
EP-1885722-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2008-02-13 EP disclosed
WO-2006122403-A1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2006-11-23 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-20090099226-A1 Quinoline derivatives as ep4 antagonists PTGER4, PTGER1, PTGER3 MAPT 4822/4885MEN1 3499/4885PLIN1 3131/4885

“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.