SCHEMBL129356

SCHEMBL129356

COc1ccc(Br)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.59
PDE4B Q07343 12/20 0.55
PDE4D Q08499 12/20 0.55
PDE4C Q08493 11/20 0.55
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
POLB P06746 1/20 0.52
VEGFA P15692 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CREBBP Q92793 1/20 0.50

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
SCHEMBL5704271 0.98 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL130569 0.97 PDE4A (0.55) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL31096114 0.93 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL133005 0.93 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL29340248 0.90 NPY1R (0.49) PDE4APDE4BPDE4DPDE4CNPY1R
SCHEMBL21823754 0.85 PDE4A (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL31096321 0.85 PDE4A (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL682835 0.84 KDM4E (0.44) PDE4APDE4D
SCHEMBL5823060 0.82 PDE4A (0.77) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL682485 0.82 POLB (0.57) PDE4APDE4BPDE4DPDE4CNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017480-B2 Compounds having a selective PDE4D inhibiting activity UNIVERSITA DEGLI STUDI DI GENOVA (IT) 2018-07-10 US disclosed
US-10017480-B2 Compounds having a selective PDE4D inhibiting activity UNIVERSITA DEGLI STUDI DI GENOVA (IT) 2018-07-10 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
EP-3105206-A1 NEW COMPOUNDS HAVING A SELECTIVE PDE4D INHIBITING ACTIVITY Universita' degli Studi di Genova (IT) 2016-12-21 EP disclosed
US-20160355489-A1 NEW COMPOUNDS HAVING A SELECTIVE PDE4D INHIBITING ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY 2016-12-08 US disclosed
US-20160355489-A1 NEW COMPOUNDS HAVING A SELECTIVE PDE4D INHIBITING ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY 2016-12-08 US disclosed
US-20160355489-A1 NEW COMPOUNDS HAVING A SELECTIVE PDE4D INHIBITING ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY 2016-12-08 US disclosed
WO-2015121212-A1 NEW COMPOUNDS HAVING A SELECTIVE PDE4D INHIBITING ACTIVITY UNIVERSITÀ DEGLI STUDI DI GENOVA (IT) 2015-08-20 WO disclosed
US-5362915-A Inhibitors of enzymes/hydrolases; antiallergens, antiinflammatory agents SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-11-08 US disclosed
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP disclosed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO disclosed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 WO disclosed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 WO disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
WO-1993018024-A1 1-ALKOXY-2-(ALKOXY- OR CYCLOALKOXY)-4-(CYCLO THIOALKYL- OR CYCLOTHIOALKENYL)BENZENES AS INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASE AND TUMOUR NECROSIS FACTOR RHONE-POULENC RORER LIMITED (GB) 1993-09-16 WO disclosed
WO-1993007111-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed
EP-0523138-A1 NOVEL DERIVATIVES OF PHENYL-CYCLOALKANES AND -CYCLOALKENES SMITHKLINE BEECHAM PHARMA GmbH (DE) 1993-01-20 EP disclosed
WO-1991015451-A1 NOVEL DERIVATIVES OF PHENYL-CYCLOALKANES AND -CYCLOALKENES SMITHKLINE BEECHAM PHARMA GMBH (DE) 1991-10-17 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 (2 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-20160355489-A1 NEW COMPOUNDS HAVING A SELECTIVE PDE4D INHIBITING ACTIVITY PDE4A, PDE4D, PDE4B PDE4A 1/4885PDE4B 3/4885PDE4D 2/4885
US-10017480-B2 Compounds having a selective PDE4D inhibiting activity PDE4A, PDE4D, PDE2A PDE4A 1/4885PDE4B 4/4885PDE4D 2/4885

“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.