SCHEMBL1079302

SCHEMBL1079302

[CH2]C1COc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
HTT P42858 2/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
DRD3 P35462 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL1567701 0.74 NISCH (0.50) NISCHABCG2ITGB2ICAM1ITGAL
SCHEMBL1877574 0.74 CA2 (0.48) ADRA1AHTR1ADRD3ADRA1DADRA1B
SCHEMBL1044541 0.74 BLM (0.47) HTTDRD3MEN1LMNATP53
SCHEMBL28774226 0.74 CA2 (0.48) DRD3
SCHEMBL1879364 0.74 CYP3A4 (0.52) DRD3CHRNB4CHRNA3
SCHEMBL1042715 0.74 LTA4H (0.45) DRD3
SCHEMBL1043068 0.74 LTA4H (0.45) DRD3
SCHEMBL2319338 0.73 NISCH (0.53) NISCHABCG2ITGB2ICAM1ITGAL
SCHEMBL963837 0.73 NISCH (0.53) NISCHABCG2ITGB2ICAM1ITGAL
SCHEMBL447295 0.73 NISCH (0.53) NISCHADRA2AADRA1AHTTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
US-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 US claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US claimed
CN-101820883-A Method for inducing hepatocyte proliferation and uses thereof CAN FITE BIOPHARMA LTD 2010-09-01 CN claimed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 US claimed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
US-4826845-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENTS RICHTER GEDEON VEGYESZETI GYAR T.R. (HU) 1989-05-02 US claimed
EP-0185731-A4 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-11-02 EP claimed
CN-85105721-A Weedicide 2-aryl-1,2, and 4-triazine-3,5 (2H, 4H)-diketone and sulfur containing analogs thereof 1987-09-02 CN claimed
EP-0220735-A2 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-06 EP claimed
EP-0211584-A1 Antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1987-02-25 EP claimed
EP-0185731-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1986-07-02 EP claimed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP claimed
WO-1986000072-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1986-01-03 WO claimed
EP-0157876-A1 HERBICIDAL 1-ARYL-$g(D)?2 -1,2,4-TRIAZOLIN-5-ONES FMC Corporation (US) 1985-10-16 EP claimed
WO-1985001637-A1 HERBICIDAL 1-ARYL-DELTA2-1,2,4-TRIAZOLIN-5-ONES FMC CORPORATION (US) 1985-04-25 WO claimed

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-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 NISCH 1011/4885ABCG2 3335/4885ITGB2 2627/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK NISCH 1084/4885ABCG2 314/4885ITGB2 2671/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NISCH 4310/4885ABCG2 1582/4885ITGB2 1887/4885

“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.