SCHEMBL3983073

SCHEMBL3983073

O=C(O)Cc1cccc(C2CCCCC2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.49
AKR1B1 P15121 1/20 0.44
PTPN5 P54829 4/20 0.43
DUSP3 P51452 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NAAA Q02083 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMO O15229 1/20 0.40
PTPN2 P17706 1/20 0.39
PTGDR Q13258 3/20 0.39
PTGER2 P43116 1/20 0.39
AKR1B10 O60218 1/20 0.37
UGT1A9 O60656 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
MT-CO2 P00403 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL4969723 1.00 PTGDR2 (0.49) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL1998542 0.98 PTGDR2 (0.47) PTGDR2AKR1B1PTPN5DUSP3PTPN11
SCHEMBL2550680 0.85 PTGDR2 (0.56) PTGDR2AKR1B1NAAATHRBTDP1
SCHEMBL5226189 0.84 KDM4E (0.40) PTGDR2PTPN5NAAAPTPN2KDM4E
Hydrochloric Acid SCHEMBL11528572 0.84 PTGDR2 (0.55) PTGDR2AKR1B1NAAATHRBTDP1
SCHEMBL3633503 0.83 PTGDR2 (0.54) PTGDR2AKR1B1NAAATDP1PTGDR
SCHEMBL2916746 0.82 GABRA1 (0.53) PTGDR2PTPN5NAAAPTPN2PTGS2
SCHEMBL10772495 0.82 GABRA1 (0.53) PTGDR2PTPN5NAAAPTPN2PTGS2
SCHEMBL11392647 0.82 PTGDR2 (0.43) PTGDR2THRBKMOPTGDRPTGER2
SCHEMBL4058553 0.82 PTGDR2 (0.41) PTGDR2PTPN5NAAAKMOPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285891-A1 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2009-11-19 US claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP claimed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
US-20120294938-A1 PHARMACEUTICAL PREPARATION FOR ORAL ADMINISTRATION WITH CONTROLLED ACTIVE INGREDIENT RELEASE IN THE SMALL INTESTINE AND METHOD FOR ITS PRODUCTION Dr. R. Pflefger Chemische Fabrik GmbH (DE) 2012-11-22 US disclosed
US-8221787-B2 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production Dr. Robert Pfleger Chemische Fabrik GmbH (DE) 2012-07-17 US disclosed
US-20090285891-A1 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2009-11-19 US disclosed
WO-2009060203-A1 3,4,6,7-TETRAHYDRO-1 H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 US disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed
EP-1620087-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-02-01 EP disclosed
WO-2004089364-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 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 (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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 PTGDR2 229/4885AKR1B1 513/4885PTPN5 1241/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 PTGDR2 4033/4885AKR1B1 3111/4885PTPN5 1155/4885
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 PTGDR2 150/4885AKR1B1 342/4885PTPN5 1009/4885

“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.