SCHEMBL3787577

SCHEMBL3787577

Clc1cccc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
AHR P35869 2/20 0.48
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MTNR1A P48039 2/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL352307 0.82 ABCG2 (0.50) AHRLMNASMN1; SMN2KDM4E
SCHEMBL3072409 0.76 ITGB2 (0.55) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL10436242 0.75 HTR2A (0.39) ITGB2ICAM1ITGALAHRLMNA
SCHEMBL5544393 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL90937 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL24312061 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL15074801 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL4564550 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL14439104 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL253657 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1481730-B1 Process for the production of phenolic compounds using zeolite beta of the proton-type, UBE INDUSTRIES (JP) 2008-01-23 EP disclosed
US-7285688-B2 Proton type β zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES, LTD. (JP) 2007-10-23 US disclosed
CN-1572368-A Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES (JP) 2005-02-02 CN disclosed
US-20040242938-A1 Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
EP-1481730-A1 New zeolite beta of the proton-type, process for its preparation and production of phenolic compounds using the same Ube Industries, Ltd. (JP) 2004-12-01 EP 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-20040242938-A1 Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same HPD, PAH, TPSD1 ITGB2 4058/4885ICAM1 4794/4885ITGAL 3859/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ITGB2 4026/4885ICAM1 4846/4885ITGAL 4325/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 ITGB2 1686/4885ICAM1 4853/4885ITGAL 2583/4885

“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.