SCHEMBL3535217

SCHEMBL3535217

CCOC(=O)c1ccoc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 9/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 6/20 0.47
HPGD P15428 4/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
HSD17B10 Q99714 4/20 0.44
POLB P06746 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL13485164 0.81 HPGD (0.44) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL1757222 0.79 ALDH1A1 (0.60) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL17223287 0.77 TSHR (0.55) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL158238 0.77 TSHR (0.55) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL6260229 0.76 TSHR (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL8635719 0.76 ALDH1A1 (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL4123607 0.76 ALDH1A1 (0.54) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL8628117 0.76 TSHR (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL28295482 0.75 ALDH1A1 (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL20337837 0.75 TSHR (0.52) TSHRALDH1A1MAPTMEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 TSHR 183/4885ALDH1A1 1522/4885MAPT 4846/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 TSHR 203/4885ALDH1A1 1258/4885MAPT 4870/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 TSHR 185/4885ALDH1A1 1424/4885MAPT 4856/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 TSHR 170/4885ALDH1A1 1450/4885MAPT 4849/4885

“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.