SCHEMBL385973

SCHEMBL385973

COCCOc1ccccc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 3/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC6A3 Q01959 1/20 0.54
PTK2B Q14289 1/20 0.53

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
SCHEMBL28478929 0.95 ALDH1A1 (0.66) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL27724685 0.87 TSHR (0.53) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL2454087 0.87 ALDH1A1 (0.71) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL7417019 0.86 MAPT (0.51) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL6280141 0.86 HSP90AA1 (0.59) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL536427 0.86 MAPT (0.59) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL1050558 0.85 ALDH1A1 (0.49) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL28701055 0.85 TSHR (0.61) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL28102658 0.85 TSHR (0.51) HSP90AA1MAPTHTTNPSR1ALDH1A1
SCHEMBL4051431 0.85 HSP90AA1 (0.58) HSP90AA1MAPTHTTNPSR1ALDH1A1

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-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
CN-1281588-C Novel intermediate for prepn. of pyrazolopyrimidinones PFIZER (US) 2006-10-25 CN disclosed
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
CN-1626516-A Novel intermediate for prepn. of pyrazolopyrimidinones PFIZER (US) 2005-06-15 CN disclosed
CN-1188415-C Pyrazolopyrimidinones inhibiting type 5 cyclic guanosine 3',5' -monophosphate phosphodiesterase (cG MP PDE5) for the treatment of sexual dysfunction PFIZER LTD (US) 2005-02-09 CN disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
CN-1253561-A Pyrazolopyrimidinones inhibiting type 5 cyclic guanosine 3',5' -monophosphate phosphodiesterase (cGMP PDE5) for the treatment of sexual dysfunction PFIZER LTD (US) 2000-05-17 CN 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B HSP90AA1 3789/4885MAPT 4815/4885HTT 4159/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 HSP90AA1 4055/4885MAPT 2644/4885HTT 3432/4885
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 HSP90AA1 2603/4885MAPT 1859/4885HTT 3937/4885

“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.