SCHEMBL1736009

SCHEMBL1736009

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
PLIN1 O60240 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
PLIN5 Q00G26 1/20 0.54
KMT2A Q03164 1/20 0.54
ABHD5 Q8WTS1 1/20 0.54
TSHR P16473 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
GAA P10253 1/20 0.51
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL25045665 0.89 TSHR (0.48) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL1979914 0.83 PTPN1 (0.46) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL1735896 0.83 MAPT (0.51) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL10455857 0.81 CA12 (0.63) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL9712860 0.81 CA12 (0.61) MAPTLMNAKMT2ACA12CA1
SCHEMBL30322741 0.81 KMT2A (0.60) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL4589656 0.81 KMT2A (0.60) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL7511909 0.81 GAA (0.51) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL4590566 0.80 LMNA (0.52) MAPTMEN1PLIN1LMNAPOLB
SCHEMBL17317414 0.80 TSHR (0.52) MAPTMEN1PLIN1LMNAPOLB

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 11 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-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US 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 (3 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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 MAPT 2716/4885MEN1 253/4885PLIN1 3127/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A MAPT 1960/4885MEN1 431/4885PLIN1 3385/4885
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.