SCHEMBL1379795

SCHEMBL1379795

[CH2]c1ccc(OC)c(OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.54
PDE4B Q07343 9/20 0.54
PDE4C Q08493 9/20 0.54
PDE4D Q08499 9/20 0.54
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
AMY1A P0DUB6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CALM1 P0DP23 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
SCHEMBL356412 0.92 KDM4E (0.59) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL309719 0.90 KDM4E (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL11320414 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL27090 0.83 CA2 (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8038343 0.79 KDM4E (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16953993 0.79 SHMT2 (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8202942 0.79 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16957605 0.78 S1PR1 (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL20985829 0.78 PDE4B (0.47) PDE4BKDM4EGAAMAPTTSHR
SCHEMBL3032528 0.78 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4722360-B2 2011-07-13 JP claimed
EP-1278520-B1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2006-03-01 EP claimed
JP-2003527336-A 2003-09-16 JP claimed
EP-1278520-A4 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2003-05-02 EP claimed
EP-1278520-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS Merck & Co., Inc. (US) 2003-01-29 EP claimed
WO-2001034149-A1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 WO claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
US-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function ACTELION PHARMACEUTICALS, LTD. (CH) 2009-03-26 US disclosed
EP-1998774-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION Actelion Pharmaceuticals Ltd. (CH) 2008-12-10 EP disclosed
WO-2007105177-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TO ENHANCE MEMORY FUNCTION ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
EP-1278520-B1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2006-03-01 EP disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (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-20090082394-A1 Tetrahydroisoquinoline Derivatives to Enhance Memory Function GRIN2A, BDNF, GRIN2C PDE4A 285/4885PDE4B 260/4885PDE4C 365/4885

“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.