SCHEMBL2295495

SCHEMBL2295495

CCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.89
CYP1A2 P05177 1/20 0.58
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
ESR1 P03372 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP2 P08253 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL7183176 0.94 GPR84 (1.00) GPR84CYP1A2ALDH1A1TSHRKDM4E
SCHEMBL10681299 0.94 GPR84 (1.00) GPR84CYP1A2ALDH1A1TSHRKDM4E
SCHEMBL11129320 0.94 GPR84 (1.00) GPR84CYP1A2ALDH1A1TSHRKDM4E
SCHEMBL1461344 0.80 GPR84 (0.63) GPR84CYP1A2ALDH1A1TSHRMEN1
SCHEMBL3984385 0.80 GPR84 (0.75) GPR84ALDH1A1TSHRKDM4EMMP1
SCHEMBL2712671 0.77 GPR84 (0.56) GPR84CYP1A2ALDH1A1TSHRKDM4E
SCHEMBL11129245 0.76 CYP1A2 (0.60) GPR84CYP1A2ALDH1A1TSHRKDM4E
SCHEMBL4283121 0.76 CYP1A2 (0.64) GPR84CYP1A2ALDH1A1TSHRKDM4E
SCHEMBL118496 0.74 CYP1A2 (1.00) GPR84CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL25177510 0.72 MAPK1 (0.54) GPR84CYP1A2ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 US disclosed
WO-2012006003-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 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 (8 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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR GPR84 138/4885CYP1A2 2089/4885ALDH1A1 4503/4885
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR84 4320/4885CYP1A2 761/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR84 4320/4885CYP1A2 761/4885ALDH1A1 1251/4885
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR GPR84 50/4885CYP1A2 3331/4885ALDH1A1 3729/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR GPR84 89/4885CYP1A2 3611/4885ALDH1A1 3674/4885
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 GPR84 73/4885CYP1A2 3136/4885ALDH1A1 1729/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR84 4320/4885CYP1A2 761/4885ALDH1A1 1251/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR GPR84 50/4885CYP1A2 3331/4885ALDH1A1 3729/4885

“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.